2-(5-bromo-1H-indol-1-yl)-N-(1H-indol-4-yl)acetamide

• ChemBase ID: 225347
• Molecular Formular: C18H14BrN3O
• Molecular Mass: 368.22726
• Monoisotopic Mass: 367.03202408
• SMILES: n1(c2c(cc1)cc(cc2)Br)CC(=O)Nc1c2c([nH]cc2)ccc1
• Canonical SMILES: O=C(Nc1cccc2c1cc[nH]2)Cn1ccc2c1ccc(c2)Br
• InChI: InChI=1S/C18H14BrN3O/c19-13-4-5-17-12(10-13)7-9-22(17)11-18(23)21-16-3-1-2-15-14(16)6-8-20-15/h1-10,20H,11H2,(H,21,23)
• InChIKey: AOSBSEIEBCIPSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromo-1H-indol-1-yl)-N-(1H-indol-4-yl)acetamide
• IUPAC Traditional name: 2-(5-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide

Database IDs

• PubChem SID: 164281257
• PubChem CID: 56763556

CALCULATED PROPERTIES

• Acid pKa: 12.550187
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 4.075484
• LogD (pH = 7.4): 4.075481
• Log P: 4.075484
• Molar Refractivity: 95.1124 cm^3
• Polarizability: 37.850033 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