N-(2-benzoyl-4-chlorophenyl)formamide

• ChemBase ID: 78758
• Molecular Formular: C14H10ClNO2
• Molecular Mass: 259.6877
• Monoisotopic Mass: 259.04000625
• SMILES: O=C(c1c(ccc(c1)Cl)NC=O)c1ccccc1
• Canonical SMILES: O=CNc1ccc(cc1C(=O)c1ccccc1)Cl
• InChI: InChI=1S/C14H10ClNO2/c15-11-6-7-13(16-9-17)12(8-11)14(18)10-4-2-1-3-5-10/h1-9H,(H,16,17)
• InChIKey: DSPFYCLSZSPMTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzoyl-4-chlorophenyl)formamide
• IUPAC Traditional name: N-(2-benzoyl-4-chlorophenyl)formamide
• Synonyms: N-(2-benzoyl-4-chlorophenyl)formamide

Database IDs

• MDL Number: MFCD00111034
• PubChem SID: 162043521
• PubChem CID: 82576

CALCULATED PROPERTIES

• Acid pKa: 13.484529
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8756552
• LogD (pH = 7.4): 3.875655
• Log P: 3.8756552
• Molar Refractivity: 71.8108 cm^3
• Polarizability: 26.880169 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true