Basic information
- Standard SMILES
CC(C)C[C@@H](Nc1ccc(C#N)c(Br)c1)C(N)=O- InChIKey
XZTLJFHSEFKBCD-GFCCVEGCSA-N- Molecular formula
- C13H16BrN3O
- Average molar mass
- 310.19 g/mol
Names & identifiers
- Preferred name
- (R)-2-(3-bromo-4-cyanophenylamino)-4-methylpentanamide
- IUPAC
- (2R)-2-(3-bromo-4-cyanoanilino)-4-methylpentanamide
Names & synonyms
SCHEMBL2714853XZTLJFHSEFKBCD-GFCCVEGCSA-N(R)-2-(3-bromo-4-cyanophenylamino)-4-methylpentanamide
Database identifiers
- PubChem CID
- 67509372
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
8 records
Linked notes
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