Basic information
- Standard SMILES
C[C@@H](c1ccccc1)[C@H](N)C(=O)Nc1ccc(Br)cc1Cl- InChIKey
BXKMJENZCVMEBX-BONVTDFDSA-N- Molecular formula
- C16H16BrClN2O
- Average molar mass
- 367.7 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-2-amino-N-(4-bromo-2-chloro-phenyl)-3-phenyl-butyramide
- IUPAC
- (2S,3S)-2-amino-N-(4-bromo-2-chlorophenyl)-3-phenylbutanamide
Names & synonyms
SCHEMBL4343606BXKMJENZCVMEBX-BONVTDFDSA-N(2S, 3S)-2-amino-N-(4-bromo-2-chloro-phenyl)-3-phenyl-butyramide(2S,3S)-2-amino-N-(4-bromo-2-chloro-phenyl)-3-phenyl-butyramide
Database identifiers
- PubChem CID
- 69009703
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
1 records
Compound notes
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