4-[2-(1H-indol-1-yl)acetamido]benzamide

• ChemBase ID: 222376
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: n1(ccc2c1cccc2)CC(=O)Nc1ccc(C(=O)N)cc1
• Canonical SMILES: O=C(Cn1ccc2c1cccc2)Nc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C17H15N3O2/c18-17(22)13-5-7-14(8-6-13)19-16(21)11-20-10-9-12-3-1-2-4-15(12)20/h1-10H,11H2,(H2,18,22)(H,19,21)
• InChIKey: MFWZAIRLLNLZMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(1H-indol-1-yl)acetamido]benzamide
• IUPAC Traditional name: 4-[2-(indol-1-yl)acetamido]benzamide

Database IDs

• PubChem SID: 164278286
• PubChem CID: 39378029

CALCULATED PROPERTIES

• Acid pKa: 12.83459
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0586092
• LogD (pH = 7.4): 2.0586078
• Log P: 2.0586095
• Molar Refractivity: 85.4815 cm^3
• Polarizability: 32.83781 Å^3
• Polar Surface Area: 77.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds