Basic information
- Standard SMILES
CC(C)C[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O- InChIKey
JBBKPFKNWWTFKI-GFCCVEGCSA-N- Molecular formula
- C13H15BrFN3O
- Average molar mass
- 328.18 g/mol
Names & identifiers
- Preferred name
- (R)-2-(5-bromo-4-cyano-2-fluorophenylamino)-4-methylpentanamide
- IUPAC
- (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide
Names & synonyms
SCHEMBL2712863JBBKPFKNWWTFKI-GFCCVEGCSA-N(R)-2-(5-bromo-4-cyano-2-fluorophenylamino)-4-methylpentanamide
Database identifiers
- PubChem CID
- 67508329
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
4 records
Compound notes
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