Basic information
- Standard SMILES
CC(=O)C(C(=O)N[C@H](c1cccc(F)c1)C1CCC1)c1cccc(F)c1C(=O)O- InChIKey
XMOBIDGNLVBTFV-IJHRGXPZSA-N- Molecular formula
- C22H21F2NO4
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 2-(1-{[(S)-cyclobutyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-2-oxo-propyl)-6-fluoro-benzoic acid
- IUPAC
- 2-[1-[[(S)-cyclobutyl-(3-fluorophenyl)methyl]amino]-1,3-dioxobutan-2-yl]-6-fluorobenzoic acid
Names & synonyms
SCHEMBL1365312XMOBIDGNLVBTFV-IJHRGXPZSA-N2-(1-{[(S)-cyclobutyl-(3-fluoro-phenyl)-methyl]-carbamoyl}-2-oxo-propyl)-6-fluoro-benzoic acid
Database identifiers
- PubChem CID
- 57733396
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
Related reactions
2 records
Compound notes
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