3-(5-fluoro-2-methylphenyl)-4-methoxy-N-methylbenzamide

• ChemBase ID: 606380
• Molecular Formular: C16H16FNO2
• Molecular Mass: 273.3021432
• Monoisotopic Mass: 273.11650698
• SMILES: c1(c2c(ccc(c2)F)C)cc(C(=O)NC)ccc1OC
• Canonical SMILES: CNC(=O)c1ccc(c(c1)c1cc(F)ccc1C)OC
• InChI: InChI=1S/C16H16FNO2/c1-10-4-6-12(17)9-13(10)14-8-11(16(19)18-2)5-7-15(14)20-3/h4-9H,1-3H3,(H,18,19)
• InChIKey: AFNPYNWVDRFOPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-fluoro-2-methylphenyl)-4-methoxy-N-methylbenzamide
• IUPAC Traditional name: 3-(5-fluoro-2-methylphenyl)-4-methoxy-N-methylbenzamide
• Synonyms: 5'-fluoro-6-methoxy-N,2'-dimethylbiphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.171993
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1932392
• LogD (pH = 7.4): 3.1932397
• Log P: 3.1932397
• Molar Refractivity: 76.8901 cm^3
• Polarizability: 29.876364 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: 3.02
• LOG S: -3.77
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3