N-(3-chloro-4-fluorobenzoyl)-piperidine-4-one
N-(3-chloro-4-fluorobenzoyl)-piperidine-4-one structure
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Common Name | N-(3-chloro-4-fluorobenzoyl)-piperidine-4-one | ||
|---|---|---|---|---|
| CAS Number | 223632-64-2 | Molecular Weight | 255.67300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H11ClFNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H11ClFNO2 |
|---|---|
| Molecular Weight | 255.67300 |
| Exact Mass | 255.04600 |
| PSA | 37.38000 |
| LogP | 2.22210 |
| InChIKey | FODGPXWJTNUVJU-UHFFFAOYSA-N |
| SMILES | O=C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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N-(3-chloro-4-f... CAS#:223632-64-2 |
| Literature: Ribet; Pena; Maurel; Belin; Tillard; Vacher; Bonnaud; Colpaert Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2005 , vol. 62, # 1-3 p. 353 - 363 |
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~%
N-(3-chloro-4-f... CAS#:223632-64-2 |
| Literature: Vacher, Bernard; Bonnaud, Bernard; Funes, Philippe; Jubault, Nathalie; Koek, Wouter; Assie, Marie-Bernadette; Cosi, Cristina; Kleven, Mark Journal of Medicinal Chemistry, 1999 , vol. 42, # 9 p. 1648 - 1660 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 3 | |
![(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone structure](https://image.chemsrc.com/caspic/432/208111-36-8.png)
CAS#:208111-36-8 methanone structure](https://image.chemsrc.com/caspic/308/208111-39-1.png)
CAS#:208111-39-1
CAS#:208110-64-9This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Confirmatory screen in NF54 pLDH assay, in single point, at 2uM, 72h
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL4888487
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Name: Primary screen in NF54 nanoGlo assay, in single point, at 2uM, 72h
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL4888485
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-ACETYL-3-CHLOROPYRAZINE |
| 3-Chloro-2-pyrazinyl methyl ketone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: Molecular formula of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is C12H11ClFNO2. |
| Q: What is the LogP of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: LogP of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is 2.22210. |
| Q: What English synonyms does 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone have? |
| A: English synonyms of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone: 2-ACETYL-3-CHLOROPYRAZINE, 3-Chloro-2-pyrazinyl methyl ketone. |
| Q: What is the InChIKey of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: InChIKey of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is FODGPXWJTNUVJU-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: Molecular weight of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is 255.67300. |
| Q: What is the English name of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: The English name of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone. |
| Q: What is the SMILES notation of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: SMILES notation of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is O=C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1. |
| Q: What is the CAS number of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: CAS number of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is 223632-64-2. |
| Q: What are the downstream products of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: Related downstream products(CAS) of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone: 208111-36-8;208111-39-1;208110-64-9. |
| Q: What is the polar surface area (PSA) of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone? |
| A: Polar surface area (PSA) of 1-(3-Chloro-4-fluorobenzoyl)-4-piperidinone is 37.38000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |