2-(5-bromo-3-formyl-1H-indol-1-yl)acetamide

• ChemBase ID: 311875
• Molecular Formular: C11H9BrN2O2
• Molecular Mass: 281.10536
• Monoisotopic Mass: 279.98473954
• SMILES: n1(cc(c2c1ccc(c2)Br)C=O)CC(=O)N
• Canonical SMILES: O=Cc1cn(c2c1cc(Br)cc2)CC(=O)N
• InChI: InChI=1S/C11H9BrN2O2/c12-8-1-2-10-9(3-8)7(6-15)4-14(10)5-11(13)16/h1-4,6H,5H2,(H2,13,16)
• InChIKey: LCOXJCPBJYZPIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromo-3-formyl-1H-indol-1-yl)acetamide
• IUPAC Traditional name: 2-(5-bromo-3-formylindol-1-yl)acetamide
• Synonyms: 2-(5-bromo-3-formyl-1H-indol-1-yl)acetamide

Database IDs

• CAS Number: 510716-35-5
• MDL Number: MFCD03306330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4479796
• LogD (pH = 7.4): 1.4479796
• Log P: 1.4479796
• Molar Refractivity: 64.1548 cm^3
• Polarizability: 25.100916 Å^3
• Polar Surface Area: 65.09 Å^2