2-chloro-N-(2,5-dimethoxyphenyl)-2-phenylacetamide

• ChemBase ID: 72421
• Molecular Formular: C16H16ClNO3
• Molecular Mass: 305.75614
• Monoisotopic Mass: 305.08187106
• SMILES: C(=O)(Nc1cc(ccc1OC)OC)C(c1ccccc1)Cl
• Canonical SMILES: COc1ccc(c(c1)NC(=O)C(c1ccccc1)Cl)OC
• InChI: InChI=1S/C16H16ClNO3/c1-20-12-8-9-14(21-2)13(10-12)18-16(19)15(17)11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,18,19)
• InChIKey: XVOKBXMPJBQZLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,5-dimethoxyphenyl)-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-(2,5-dimethoxyphenyl)-2-phenylacetamide
• Synonyms: 2-Chloro-N-(2,5-dimethoxyphenyl)-2-phenylacetamide

Database IDs

• PubChem SID: 162104327
• PubChem CID: 43245503

CALCULATED PROPERTIES

• Acid pKa: 11.554541
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3693864
• LogD (pH = 7.4): 3.369358
• Log P: 3.369387
• Molar Refractivity: 82.9585 cm^3
• Polarizability: 31.666721 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT