2-(1H-indol-3-yl)-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase ID: 218660
• Molecular Formular: C19H14N2O3
• Molecular Mass: 318.32606
• Monoisotopic Mass: 318.10044232
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)Nc1cc2c(oc(=O)cc2)cc1
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C19H14N2O3/c22-18(10-13-11-20-16-4-2-1-3-15(13)16)21-14-6-7-17-12(9-14)5-8-19(23)24-17/h1-9,11,20H,10H2,(H,21,22)
• InChIKey: NRAQGZBIFCNBCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-3-yl)-N-(2-oxo-2H-chromen-6-yl)acetamide
• IUPAC Traditional name: 2-(1H-indol-3-yl)-N-(2-oxochromen-6-yl)acetamide

Database IDs

• PubChem SID: 164274570
• PubChem CID: 16408613

CALCULATED PROPERTIES

• Acid pKa: 14.132259
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.954172
• LogD (pH = 7.4): 2.9541717
• Log P: 2.954172
• Molar Refractivity: 92.22 cm^3
• Polarizability: 35.375187 Å^3
• Polar Surface Area: 71.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds