2-(3-chloro-4-methoxyphenyl)benzamide

• ChemBase ID: 585152
• Molecular Formular: C14H12ClNO2
• Molecular Mass: 261.70358
• Monoisotopic Mass: 261.05565631
• SMILES: c1(c(C(=O)N)cccc1)c1cc(c(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1Cl)c1ccccc1C(=O)N
• InChI: InChI=1S/C14H12ClNO2/c1-18-13-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14(16)17/h2-8H,1H3,(H2,16,17)
• InChIKey: CCDUCJHHFYQHHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloro-4-methoxyphenyl)benzamide
• IUPAC Traditional name: 2-(3-chloro-4-methoxyphenyl)benzamide
• Synonyms: 3'-chloro-4'-methoxybiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.05396
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9174845
• LogD (pH = 7.4): 2.917485
• Log P: 2.917485
• Molar Refractivity: 71.5406 cm^3
• Polarizability: 28.504358 Å^3
• Polar Surface Area: 52.32 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: 2.53
• LOG S: -3.27
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3