N-[(2,3-difluoro-4-methoxyphenyl)methyl]-5-(methoxymethyl)furan-2-carboxamide

• ChemBase ID: 844668
• Molecular Formular: C15H15F2NO4
• Molecular Mass: 311.2807064
• Monoisotopic Mass: 311.09691441
• SMILES: c1(oc(cc1)COC)C(=O)NCc1c(c(c(cc1)OC)F)F
• Canonical SMILES: COCc1ccc(o1)C(=O)NCc1ccc(c(c1F)F)OC
• InChI: InChI=1S/C15H15F2NO4/c1-20-8-10-4-6-12(22-10)15(19)18-7-9-3-5-11(21-2)14(17)13(9)16/h3-6H,7-8H2,1-2H3,(H,18,19)
• InChIKey: PJEVBAGCILCONJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,3-difluoro-4-methoxyphenyl)methyl]-5-(methoxymethyl)furan-2-carboxamide
• IUPAC Traditional name: N-[(2,3-difluoro-4-methoxyphenyl)methyl]-5-(methoxymethyl)furan-2-carboxamide
• Synonyms: N-(2,3-difluoro-4-methoxybenzyl)-5-(methoxymethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.751074
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7557924
• LogD (pH = 7.4): 1.7557923
• Log P: 1.7557924
• Molar Refractivity: 75.3772 cm^3
• Polarizability: 27.900211 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: 1.87
• LOG S: -3.07
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 6