2-(5-fluoro-2-methylphenyl)benzamide

• ChemBase ID: 357098
• Molecular Formular: C14H12FNO
• Molecular Mass: 229.2495832
• Monoisotopic Mass: 229.09029223
• SMILES: c1(c2c(ccc(c2)F)C)c(C(=O)N)cccc1
• Canonical SMILES: Fc1ccc(c(c1)c1ccccc1C(=O)N)C
• InChI: InChI=1S/C14H12FNO/c1-9-6-7-10(15)8-13(9)11-4-2-3-5-12(11)14(16)17/h2-8H,1H3,(H2,16,17)
• InChIKey: ZOEZMFCQLZBVDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoro-2-methylphenyl)benzamide
• IUPAC Traditional name: 2-(5-fluoro-2-methylphenyl)benzamide
• Synonyms: 5'-fluoro-2'-methylbiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.019111
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1272345
• LogD (pH = 7.4): 3.1272347
• Log P: 3.1272347
• Molar Refractivity: 65.5302 cm^3
• Polarizability: 25.522856 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.68
• LOG S: -3.16
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2