2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide

• ChemBase ID: 628165
• Molecular Formular: C16H16FNO2
• Molecular Mass: 273.3021432
• Monoisotopic Mass: 273.11650698
• SMILES: c1(c2ccc(CC(=O)NC)cc2)c(ccc(c1)OC)F
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)c1cc(OC)ccc1F
• InChI: InChI=1S/C16H16FNO2/c1-18-16(19)9-11-3-5-12(6-4-11)14-10-13(20-2)7-8-15(14)17/h3-8,10H,9H2,1-2H3,(H,18,19)
• InChIKey: KRONVEPPVBJGAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide
• IUPAC Traditional name: 2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-methylacetamide
• Synonyms: 2-(2'-fluoro-5'-methoxybiphenyl-4-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.929845
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6599836
• LogD (pH = 7.4): 2.6599836
• Log P: 2.6599836
• Molar Refractivity: 75.9003 cm^3
• Polarizability: 30.17156 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: 2.64
• LOG S: -3.45
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4