2-{1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl}-N-(1-methylcyclopropyl)acetamide

• ChemBase ID: 779752
• Molecular Formular: C22H25FN2O2
• Molecular Mass: 368.4445032
• Monoisotopic Mass: 368.19000627
• SMILES: n1(c2c(c(c1C)CC(=O)NC1(CC1)C)C(=O)CCC2)Cc1c(F)cccc1
• Canonical SMILES: O=C(NC1(C)CC1)Cc1c(C)n(c2c1C(=O)CCC2)Cc1ccccc1F
• InChI: InChI=1S/C22H25FN2O2/c1-14-16(12-20(27)24-22(2)10-11-22)21-18(8-5-9-19(21)26)25(14)13-15-6-3-4-7-17(15)23/h3-4,6-7H,5,8-13H2,1-2H3,(H,24,27)
• InChIKey: NQYOJCWGCYSWQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl}-N-(1-methylcyclopropyl)acetamide
• IUPAC Traditional name: 2-{1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl}-N-(1-methylcyclopropyl)acetamide
• Synonyms: 2-[1-(2-fluorobenzyl)-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]-N-(1-methylcyclopropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.768907
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.216138
• LogD (pH = 7.4): 3.216138
• Log P: 3.216138
• Molar Refractivity: 103.8683 cm^3
• Polarizability: 39.035435 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.86
• LOG S: -4.33
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5