2,6-difluoro-N-[2-(furan-2-ylmethoxy)phenyl]-4-methoxybenzamide

• ChemBase ID: 361705
• Molecular Formular: C19H15F2NO4
• Molecular Mass: 359.3235064
• Monoisotopic Mass: 359.09691441
• SMILES: C(=O)(c1c(cc(cc1F)OC)F)Nc1c(OCc2occc2)cccc1
• Canonical SMILES: COc1cc(F)c(c(c1)F)C(=O)Nc1ccccc1OCc1ccco1
• InChI: InChI=1S/C19H15F2NO4/c1-24-13-9-14(20)18(15(21)10-13)19(23)22-16-6-2-3-7-17(16)26-11-12-5-4-8-25-12/h2-10H,11H2,1H3,(H,22,23)
• InChIKey: AAVDKEZMOIMDCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N-[2-(furan-2-ylmethoxy)phenyl]-4-methoxybenzamide
• IUPAC Traditional name: 2,6-difluoro-N-[2-(furan-2-ylmethoxy)phenyl]-4-methoxybenzamide
• Synonyms: 2,6-difluoro-N-[2-(2-furylmethoxy)phenyl]-4-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.553328
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8199081
• LogD (pH = 7.4): 3.819622
• Log P: 3.8199117
• Molar Refractivity: 91.9542 cm^3
• Polarizability: 33.869667 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.78
• LOG S: -4.2
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 6