Basic information
- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)c1ccccc1- InChIKey
CIHKEEALDXBGPE-HNNXBMFYSA-N- Molecular formula
- C17H16ClNO2
- Average molar mass
- 301.8 g/mol
Names & identifiers
- Preferred name
- (3S)-3-Benzoylamino-1-chloro-4-phenyl-2-butanone
- IUPAC
- N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]benzamide
Names & synonyms
CHEMBL302387SCHEMBL6496041CIHKEEALDXBGPE-HNNXBMFYSA-NBDBM50085360(3S)-3-Benzoylamino-1-chloro-4-phenyl-2-butanoneN-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-benzamide(S)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]benzamide
Database identifiers
- PubChem CID
- 13339657
- ChEMBL
CHEMBL302387- Nikkaji
- J1.251.110H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
8 records
Compound notes
Loading…