N-[2-(2,3-dichlorophenyl)phenyl]-2-methoxyacetamide

• ChemBase ID: 473052
• Molecular Formular: C15H13Cl2NO2
• Molecular Mass: 310.17522
• Monoisotopic Mass: 309.03233402
• SMILES: c1(c2c(NC(=O)COC)cccc2)c(c(Cl)ccc1)Cl
• Canonical SMILES: COCC(=O)Nc1ccccc1c1cccc(c1Cl)Cl
• InChI: InChI=1S/C15H13Cl2NO2/c1-20-9-14(19)18-13-8-3-2-5-10(13)11-6-4-7-12(16)15(11)17/h2-8H,9H2,1H3,(H,18,19)
• InChIKey: HDPWDLISGYHNED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dichlorophenyl)phenyl]-2-methoxyacetamide
• IUPAC Traditional name: N-[2-(2,3-dichlorophenyl)phenyl]-2-methoxyacetamide
• Synonyms: N-(2',3'-dichlorobiphenyl-2-yl)-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.392698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8921492
• LogD (pH = 7.4): 3.8921452
• Log P: 3.8921494
• Molar Refractivity: 82.1202 cm^3
• Polarizability: 32.454266 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.78
• LOG S: -3.84
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4