N-(2-benzoylphenyl)-2-chloropropanamide

• ChemBase ID: 233636
• Molecular Formular: C16H14ClNO2
• Molecular Mass: 287.74086
• Monoisotopic Mass: 287.07130637
• SMILES: c1(C(=O)c2ccccc2)c(NC(=O)C(Cl)C)cccc1
• Canonical SMILES: O=C(C(Cl)C)Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C16H14ClNO2/c1-11(17)16(20)18-14-10-6-5-9-13(14)15(19)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,20)
• InChIKey: SOVFDEUNELESDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzoylphenyl)-2-chloropropanamide
• IUPAC Traditional name: N-(2-benzoylphenyl)-2-chloropropanamide
• Synonyms: N-(2-benzoylphenyl)-2-chloropropanamide

Database IDs

• MDL Number: MFCD04621517
• PubChem SID: 164289546
• PubChem CID: 4991640

CALCULATED PROPERTIES

• Acid pKa: 12.126301
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.4264174
• LogD (pH = 7.4): 4.4264097
• Log P: 4.4264174
• Molar Refractivity: 80.7436 cm^3
• Polarizability: 30.516329 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.24

Product Information

• Purity: 95%