N-[4-(2-chlorophenyl)-2-methoxyphenyl]acetamide

• ChemBase ID: 708046
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: c1(c2c(Cl)cccc2)cc(c(NC(=O)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1NC(=O)C)c1ccccc1Cl
• InChI: InChI=1S/C15H14ClNO2/c1-10(18)17-14-8-7-11(9-15(14)19-2)12-5-3-4-6-13(12)16/h3-9H,1-2H3,(H,17,18)
• InChIKey: VMEJILARWMJSNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-chlorophenyl)-2-methoxyphenyl]acetamide
• IUPAC Traditional name: N-[4-(2-chlorophenyl)-2-methoxyphenyl]acetamide
• Synonyms: N-(2'-chloro-3-methoxybiphenyl-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.551543
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.304555
• LogD (pH = 7.4): 3.304552
• Log P: 3.304555
• Molar Refractivity: 77.3252 cm^3
• Polarizability: 30.541567 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.37
• LOG S: -4.09
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3