N-[2-(3-fluoro-4-methylphenyl)phenyl]cyclopropanecarboxamide

• ChemBase ID: 406017
• Molecular Formular: C17H16FNO
• Molecular Mass: 269.3134432
• Monoisotopic Mass: 269.12159236
• SMILES: C(=O)(Nc1c(c2cc(c(cc2)C)F)cccc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccccc1c1ccc(c(c1)F)C
• InChI: InChI=1S/C17H16FNO/c1-11-6-7-13(10-15(11)18)14-4-2-3-5-16(14)19-17(20)12-8-9-12/h2-7,10,12H,8-9H2,1H3,(H,19,20)
• InChIKey: JMWXVYYVVJUENE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-fluoro-4-methylphenyl)phenyl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[2-(3-fluoro-4-methylphenyl)phenyl]cyclopropanecarboxamide
• Synonyms: N-(3'-fluoro-4'-methylbiphenyl-2-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.294101
• LogD (pH = 7.4): 4.2941008
• Log P: 4.294101
• Molar Refractivity: 78.714 cm^3
• Polarizability: 30.530449 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.366604

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.87
• LOG S: -3.62
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3