3-chloro-N-(4-fluorophenyl)benzamide
Basic information
- CAS
33489-31-5- Standard SMILES
O=C(Nc1ccc(F)cc1)c1cccc(Cl)c1- InChIKey
KUABZWBUUUACJS-UHFFFAOYSA-N- Molecular formula
- C13H9ClFNO
- Average molar mass
- 249.67 g/mol
- Monoisotopic mass
- 249.0356698
Names & identifiers
- Preferred name
- 3-chloro-N-(4-fluorophenyl)benzamide
- IUPAC
- 3-chloro-N-(4-fluorophenyl)benzamide
- English name
- 3-chloro-N-(4-fluorophenyl)benzamide
- Molecular formula
- C13H9ClFNO
- Molecular weight
- 249.67
Names & synonyms
3-chloro-N-(4-fluorophenyl)benzamide33489-31-5DTXSID40304115RefChem:278545DTXCID70255247ZINC255630NSC164259Fc1ccc(cc1)NC(=O)c1cccc(c1)ClMFCD00157772STK097320ZINC002556303-CHLORO-4'-FLUOROBENZANILIDE
Show more names
Benzamide, 3-chloro-N-(4-fluorophenyl)-
AKOS000533900NSC-1642593CHLORON(4FLUOROPHENYL)BENZAMIDEN(4FLUOROPHENYL)3CHLOROBENZAMIDEZINC000000255630CS-0332842ST50184342(3-chlorophenyl)-N-(4-fluorophenyl)carboxamide
Database identifiers
- CAS
33489-31-5- PubChem CID
- 295103
- DTXSID
DTXSID40304115- Nikkaji
- J881.960B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 288.4 · 288.4±25.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 12 · 12.00±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…