2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(3-methylphenyl)acetamide

• ChemBase ID: 250913
• Molecular Formular: C17H14N2O3
• Molecular Mass: 294.30466
• Monoisotopic Mass: 294.10044232
• SMILES: N1(C(=O)C(=O)c2c1cccc2)CC(=O)Nc1cc(ccc1)C
• Canonical SMILES: O=C(CN1C(=O)C(=O)c2c1cccc2)Nc1cccc(c1)C
• InChI: InChI=1S/C17H14N2O3/c1-11-5-4-6-12(9-11)18-15(20)10-19-14-8-3-2-7-13(14)16(21)17(19)22/h2-9H,10H2,1H3,(H,18,20)
• InChIKey: UTYQTGGBFCQOTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(2,3-dioxoindol-1-yl)-N-(3-methylphenyl)acetamide
• Synonyms: 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(3-methylphenyl)acetamide

Database IDs

• MDL Number: MFCD00401994
• PubChem SID: 164306823
• PubChem CID: 1713189

CALCULATED PROPERTIES

• Acid pKa: 11.266097
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2413154
• LogD (pH = 7.4): 2.2412572
• Log P: 2.2413163
• Molar Refractivity: 82.994 cm^3
• Polarizability: 30.770264 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.124

Product Information

• Purity: 95%