2-chloro-N-(4-methylphenyl)-2-phenylacetamide

• ChemBase ID: 72422
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: C(=O)(Nc1ccc(cc1)C)C(c1ccccc1)Cl
• Canonical SMILES: O=C(C(c1ccccc1)Cl)Nc1ccc(cc1)C
• InChI: InChI=1S/C15H14ClNO/c1-11-7-9-13(10-8-11)17-15(18)14(16)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,17,18)
• InChIKey: GTGODNLPJFFPBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-methylphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(4-methylphenyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-(4-methylphenyl)-2-phenylacetamide

Database IDs

• PubChem SID: 162104228
• PubChem CID: 5171472

CALCULATED PROPERTIES

• Acid pKa: 13.433078
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1981506
• LogD (pH = 7.4): 4.1981506
• Log P: 4.1981506
• Molar Refractivity: 75.0733 cm^3
• Polarizability: 28.38054 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT