2,6-difluoro-4-methoxy-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)benzamide

• ChemBase ID: 690195
• Molecular Formular: C16H12F2N2O3
• Molecular Mass: 318.2748864
• Monoisotopic Mass: 318.08159869
• SMILES: c1(C(=O)Nc2cc3c(NC(=O)C3)cc2)c(cc(cc1F)OC)F
• Canonical SMILES: COc1cc(F)c(c(c1)F)C(=O)Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C16H12F2N2O3/c1-23-10-6-11(17)15(12(18)7-10)16(22)19-9-2-3-13-8(4-9)5-14(21)20-13/h2-4,6-7H,5H2,1H3,(H,19,22)(H,20,21)
• InChIKey: STJVJRSHPIAMNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-4-methoxy-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)benzamide
• IUPAC Traditional name: 2,6-difluoro-4-methoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
• Synonyms: 2,6-difluoro-4-methoxy-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.744806
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2916653
• LogD (pH = 7.4): 2.291481
• Log P: 2.2916677
• Molar Refractivity: 82.0144 cm^3
• Polarizability: 29.08217 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.07
• LOG S: -2.43
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 3