N-(1H-indol-4-yl)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 225954
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: c12c(NC(=O)Cc3ccc(cc3)OC)cccc1[nH]cc2
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C17H16N2O2/c1-21-13-7-5-12(6-8-13)11-17(20)19-16-4-2-3-15-14(16)9-10-18-15/h2-10,18H,11H2,1H3,(H,19,20)
• InChIKey: IEEQKVFCRXGCQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281864
• PubChem CID: 71691952

CALCULATED PROPERTIES

• Acid pKa: 13.078591
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9863868
• LogD (pH = 7.4): 2.9863858
• Log P: 2.9863868
• Molar Refractivity: 83.1926 cm^3
• Polarizability: 32.54793 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds