2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide

• ChemBase ID: 625677
• Molecular Formular: C16H16ClNO3
• Molecular Mass: 305.75614
• Monoisotopic Mass: 305.08187106
• SMILES: c1(cc(c2cc(cc(c2)OC)OC)ccc1Cl)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc(ccc1Cl)c1cc(OC)cc(c1)OC
• InChI: InChI=1S/C16H16ClNO3/c1-18-16(19)14-8-10(4-5-15(14)17)11-6-12(20-2)9-13(7-11)21-3/h4-9H,1-3H3,(H,18,19)
• InChIKey: JFQBHUMRAWVMAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
• IUPAC Traditional name: 2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
• Synonyms: 4-chloro-3',5'-dimethoxy-N-methylbiphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.529229
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9834895
• LogD (pH = 7.4): 2.9834895
• Log P: 2.9834898
• Molar Refractivity: 82.9005 cm^3
• Polarizability: 32.85863 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -3.29
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4