2',4'-Difluoro-3-(4-methoxyphenylcarbamoyl)biphenyl-4-yl benzoate
Basic information
- CAS
1095208-62-0- Standard SMILES
COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2OC(=O)c2ccccc2)cc1- InChIKey
PUAOKYLZKGKOCC-UHFFFAOYSA-N- Molecular formula
- C27H19F2NO4
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.12821441
Names & identifiers
- Preferred name
- 2',4'-Difluoro-3-(4-methoxyphenylcarbamoyl)biphenyl-4-yl benzoate
- IUPAC
- [4-(2,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamoyl]phenyl] benzoate
Names & synonyms
2',4'-difluoro-3-(4-methoxyphenylcarbamoyl)biphenyl-4-yl benzoateCHEMBL552118DTXSID506578462',4'-Difluoro-3-[(4-methoxyphenyl)carbamoyl][1,1'-biphenyl]-4-yl benzoate
Database identifiers
- CAS
1095208-62-0- PubChem CID
- 44201010
- DTXSID
DTXSID50657846- ChEMBL
CHEMBL552118
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 678
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Compound notes
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