Basic information
- Standard SMILES
C[C@@H](C(=O)Nc1ccc(B(O)O)cc1)c1ccc(F)cc1- InChIKey
JKRNJRAPYFXOHE-SNVBAGLBSA-N- Molecular formula
- C15H15BFNO3
- Average molar mass
- 287.1 g/mol
- Monoisotopic mass
- 287.1129017
Names & identifiers
- Preferred name
- (4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}phenyl)boronic acid
- IUPAC
- [4-[[(2R)-2-(4-fluorophenyl)propanoyl]amino]phenyl]boronic acid
Names & synonyms
SCHEMBL15416100JKRNJRAPYFXOHE-SNVBAGLBSA-N(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino} phenyl)boronic acid(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}phenyl) boronic acid(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}phenyl)boronic acid
Database identifiers
- PubChem CID
- 89924129
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Related reactions
1 records
Compound notes
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