2-(1H-indol-1-yl)-N-(1H-indol-4-yl)acetamide

• ChemBase ID: 225495
• Molecular Formular: C18H15N3O
• Molecular Mass: 289.3312
• Monoisotopic Mass: 289.12151212
• SMILES: n1(ccc2c1cccc2)CC(=O)Nc1c2c([nH]cc2)ccc1
• Canonical SMILES: O=C(Cn1ccc2c1cccc2)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C18H15N3O/c22-18(12-21-11-9-13-4-1-2-7-17(13)21)20-16-6-3-5-15-14(16)8-10-19-15/h1-11,19H,12H2,(H,20,22)
• InChIKey: YJDRFEYHMPNHME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-1-yl)-N-(1H-indol-4-yl)acetamide
• IUPAC Traditional name: 2-(indol-1-yl)-N-(1H-indol-4-yl)acetamide

Database IDs

• PubChem SID: 164281405
• PubChem CID: 56763688

CALCULATED PROPERTIES

• Acid pKa: 12.550187
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.306731
• LogD (pH = 7.4): 3.3067281
• Log P: 3.306731
• Molar Refractivity: 87.4896 cm^3
• Polarizability: 35.315594 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds