N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide

• ChemBase ID: 219981
• Molecular Formular: C20H18ClN3O
• Molecular Mass: 351.82942
• Monoisotopic Mass: 351.11383989
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NCCc1c2c([nH]c1)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(CCNC(=O)Cc1c[nH]c3c1cccc3)c[nH]2
• InChI: InChI=1S/C20H18ClN3O/c21-15-5-6-19-17(10-15)13(11-23-19)7-8-22-20(25)9-14-12-24-18-4-2-1-3-16(14)18/h1-6,10-12,23-24H,7-9H2,(H,22,25)
• InChIKey: JAARJZVYRYJSLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide

Database IDs

• PubChem SID: 164275891
• PubChem CID: 17571848

CALCULATED PROPERTIES

• Acid pKa: 15.135373
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): 3.8424306
• LogD (pH = 7.4): 3.8424306
• Log P: 3.8424306
• Molar Refractivity: 100.4299 cm^3
• Polarizability: 40.804554 Å^3
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds