N-(7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N'-(4-methylphenyl)propanediamide

• ChemBase ID: 767857
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: N1C(=O)C(c2c1c(ccc2)C)NC(=O)CC(=O)Nc1ccc(cc1)C
• Canonical SMILES: O=C(CC(=O)NC1C(=O)Nc2c1cccc2C)Nc1ccc(cc1)C
• InChI: InChI=1S/C19H19N3O3/c1-11-6-8-13(9-7-11)20-15(23)10-16(24)21-18-14-5-3-4-12(2)17(14)22-19(18)25/h3-9,18H,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
• InChIKey: CDAYGGFRKDMKDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N'-(4-methylphenyl)propanediamide
• IUPAC Traditional name: N-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)-N'-(4-methylphenyl)propanediamide
• Synonyms: N-(7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N'-(4-methylphenyl)malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.916868
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.4222295
• LogD (pH = 7.4): 2.4222178
• Log P: 2.4222298
• Molar Refractivity: 96.7282 cm^3
• Polarizability: 35.536263 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.12
• LOG S: -3.47
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 4