N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 226057
• Molecular Formular: C21H20ClN3O2
• Molecular Mass: 381.8554
• Monoisotopic Mass: 381.12440458
• SMILES: n1(c2c(cc1)c(OC)ccc2)CC(=O)NCCc1c2c([nH]c1)ccc(c2)Cl
• Canonical SMILES: COc1cccc2c1ccn2CC(=O)NCCc1c[nH]c2c1cc(Cl)cc2
• InChI: InChI=1S/C21H20ClN3O2/c1-27-20-4-2-3-19-16(20)8-10-25(19)13-21(26)23-9-7-14-12-24-18-6-5-15(22)11-17(14)18/h2-6,8,10-12,24H,7,9,13H2,1H3,(H,23,26)
• InChIKey: LGSSDTROARIAPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281967
• PubChem CID: 71692038

CALCULATED PROPERTIES

• Acid pKa: 14.865635
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7486703
• LogD (pH = 7.4): 3.7486703
• Log P: 3.7486703
• Molar Refractivity: 106.5668 cm^3
• Polarizability: 43.300705 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds