2-(9-methyl-9H-carbazol-3-yl)acetamide

• ChemBase ID: 186950
• Molecular Formular: C15H14N2O
• Molecular Mass: 238.28446
• Monoisotopic Mass: 238.11061308
• SMILES: n1(c2c(c3c1cccc3)cc(CC(=O)N)cc2)C
• Canonical SMILES: NC(=O)Cc1ccc2c(c1)c1ccccc1n2C
• InChI: InChI=1S/C15H14N2O/c1-17-13-5-3-2-4-11(13)12-8-10(9-15(16)18)6-7-14(12)17/h2-8H,9H2,1H3,(H2,16,18)
• InChIKey: KMRPSZNPIBRFEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9-methyl-9H-carbazol-3-yl)acetamide
• IUPAC Traditional name: 2-(9-methylcarbazol-3-yl)acetamide

Database IDs

• PubChem SID: 164242860
• PubChem CID: 1756987

CALCULATED PROPERTIES

• Acid pKa: 16.67908
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1453674
• LogD (pH = 7.4): 2.1453674
• Log P: 2.1453674
• Molar Refractivity: 71.4987 cm^3
• Polarizability: 29.797129 Å^3
• Polar Surface Area: 48.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds