N-[2-(1H-indol-3-ylformamido)ethyl]benzamide

• ChemBase ID: 220750
• Molecular Formular: C18H17N3O2
• Molecular Mass: 307.34648
• Monoisotopic Mass: 307.1320768
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H17N3O2/c22-17(13-6-2-1-3-7-13)19-10-11-20-18(23)15-12-21-16-9-5-4-8-14(15)16/h1-9,12,21H,10-11H2,(H,19,22)(H,20,23)
• InChIKey: JBBZGTIRIXEAPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-ylformamido)ethyl]benzamide
• IUPAC Traditional name: N-[2-(1H-indol-3-ylformamido)ethyl]benzamide

Database IDs

• PubChem SID: 164276660
• PubChem CID: 42506791

CALCULATED PROPERTIES

• Acid pKa: 12.415648
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.022361
• LogD (pH = 7.4): 2.0223575
• Log P: 2.0223615
• Molar Refractivity: 89.1837 cm^3
• Polarizability: 34.48418 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds