2-chloro-N-(3-methoxyphenyl)-2-phenylacetamide

• ChemBase ID: 72434
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: C(=O)(Nc1cc(OC)ccc1)C(c1ccccc1)Cl
• Canonical SMILES: COc1cccc(c1)NC(=O)C(c1ccccc1)Cl
• InChI: InChI=1S/C15H14ClNO2/c1-19-13-9-5-8-12(10-13)17-15(18)14(16)11-6-3-2-4-7-11/h2-10,14H,1H3,(H,17,18)
• InChIKey: ZLMFVYKPWZYOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3-methoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(3-methoxyphenyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-(3-methoxyphenyl)-2-phenylacetamide

Database IDs

• PubChem SID: 162104189
• PubChem CID: 3899763

CALCULATED PROPERTIES

• Acid pKa: 12.821854
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5270581
• LogD (pH = 7.4): 3.5270565
• Log P: 3.5270581
• Molar Refractivity: 76.4953 cm^3
• Polarizability: 29.13666 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT