2-(5-methyl-1H-indol-3-yl)benzamide

• ChemBase ID: 571981
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c1(c2c([nH]c1)ccc(c2)C)c1c(C(=O)N)cccc1
• Canonical SMILES: Cc1ccc2c(c1)c(c[nH]2)c1ccccc1C(=O)N
• InChI: InChI=1S/C16H14N2O/c1-10-6-7-15-13(8-10)14(9-18-15)11-4-2-3-5-12(11)16(17)19/h2-9,18H,1H3,(H2,17,19)
• InChIKey: GZFSWYCLUZXDOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1H-indol-3-yl)benzamide
• IUPAC Traditional name: 2-(5-methyl-1H-indol-3-yl)benzamide
• Synonyms: 2-(5-methyl-1H-indol-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.903796
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.0832944
• LogD (pH = 7.4): 3.0832949
• Log P: 3.0832949
• Molar Refractivity: 76.4003 cm^3
• Polarizability: 31.200356 Å^3
• Polar Surface Area: 58.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 2.58
• LOG S: -3.23
• Polar Surface Area: 58.88 Å^2
• Rotatable Bonds: 2