2-(6-chloro-1H-indol-1-yl)-N-(1H-indol-6-yl)acetamide

• ChemBase ID: 222415
• Molecular Formular: C18H14ClN3O
• Molecular Mass: 323.77626
• Monoisotopic Mass: 323.08253976
• SMILES: n1(c2c(cc1)ccc(c2)Cl)CC(=O)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: O=C(Cn1ccc2c1cc(Cl)cc2)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C18H14ClN3O/c19-14-3-1-13-6-8-22(17(13)9-14)11-18(23)21-15-4-2-12-5-7-20-16(12)10-15/h1-10,20H,11H2,(H,21,23)
• InChIKey: JFWFIXJDKDJDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-chloro-1H-indol-1-yl)-N-(1H-indol-6-yl)acetamide
• IUPAC Traditional name: 2-(6-chloroindol-1-yl)-N-(1H-indol-6-yl)acetamide

Database IDs

• PubChem SID: 164278325
• PubChem CID: 39378068

CALCULATED PROPERTIES

• Acid pKa: 13.003557
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.9107757
• LogD (pH = 7.4): 3.9107747
• Log P: 3.9107757
• Molar Refractivity: 92.2944 cm^3
• Polarizability: 37.10438 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