Basic information
- CAS
314030-21-2- Standard SMILES
O=C(O)CC(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
MWTMYLNMSBEAMV-UHFFFAOYSA-N- Molecular formula
- C18H15ClF3NO3
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.0692555
Names & identifiers
- Preferred name
- 3-[(4-Chlorophenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
- IUPAC
- 3-[(4-chlorophenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Names & synonyms
314030-21-23-[(4-chlorophenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid4-Chloro-beta-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]benzenebutanoic acidDTXSID801143372HTS25114AKOS000620617AKOS021984644AG-690/113154223-(4-chlorobenzyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid3-(4-chlorobenzyl)-4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid4-Chloro-I(2)-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]benzenebutanoic acid
Database identifiers
- CAS
314030-21-2- PubChem CID
- 2851292
- DTXSID
DTXSID801143372
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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