2-(5-bromo-1H-indol-1-yl)-N-(1H-indol-6-yl)acetamide

• ChemBase ID: 221197
• Molecular Formular: C18H14BrN3O
• Molecular Mass: 368.22726
• Monoisotopic Mass: 367.03202408
• SMILES: n1(c2c(cc1)cc(cc2)Br)CC(=O)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: O=C(Cn1ccc2c1ccc(c2)Br)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C18H14BrN3O/c19-14-2-4-17-13(9-14)6-8-22(17)11-18(23)21-15-3-1-12-5-7-20-16(12)10-15/h1-10,20H,11H2,(H,21,23)
• InChIKey: QHFCNWBIRQCCPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromo-1H-indol-1-yl)-N-(1H-indol-6-yl)acetamide
• IUPAC Traditional name: 2-(5-bromoindol-1-yl)-N-(1H-indol-6-yl)acetamide

Database IDs

• PubChem SID: 164277107
• PubChem CID: 42507339

CALCULATED PROPERTIES

• Acid pKa: 13.003557
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 4.075484
• LogD (pH = 7.4): 4.075483
• Log P: 4.075484
• Molar Refractivity: 95.1124 cm^3
• Polarizability: 37.847557 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