2-(3-fluoro-4-methoxyphenyl)benzamide

• ChemBase ID: 509162
• Molecular Formular: C14H12FNO2
• Molecular Mass: 245.2489832
• Monoisotopic Mass: 245.08520685
• SMILES: c1(c(C(=O)N)cccc1)c1cc(c(cc1)OC)F
• Canonical SMILES: COc1ccc(cc1F)c1ccccc1C(=O)N
• InChI: InChI=1S/C14H12FNO2/c1-18-13-7-6-9(8-12(13)15)10-4-2-3-5-11(10)14(16)17/h2-8H,1H3,(H2,16,17)
• InChIKey: UBDABIFVFYRPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoro-4-methoxyphenyl)benzamide
• IUPAC Traditional name: 2-(3-fluoro-4-methoxyphenyl)benzamide
• Synonyms: 3'-fluoro-4'-methoxybiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.041921
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4561417
• LogD (pH = 7.4): 2.4561422
• Log P: 2.4561422
• Molar Refractivity: 66.9522 cm^3
• Polarizability: 26.269966 Å^3
• Polar Surface Area: 52.32 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: 2.11
• LOG S: -2.79
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3