N-(1H-indol-5-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 218529
• Molecular Formular: C19H14N2O4
• Molecular Mass: 334.32546
• Monoisotopic Mass: 334.09535694
• SMILES: o1c2c(ccc1=O)ccc(c2)OCC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)cc[nH]2)COc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C19H14N2O4/c22-18(21-14-3-5-16-13(9-14)7-8-20-16)11-24-15-4-1-12-2-6-19(23)25-17(12)10-15/h1-10,20H,11H2,(H,21,22)
• InChIKey: UBDRKROQZCRZRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-5-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(1H-indol-5-yl)-2-[(2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164274439
• PubChem CID: 16408489

CALCULATED PROPERTIES

• Acid pKa: 12.496533
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6367354
• LogD (pH = 7.4): 2.636732
• Log P: 2.6367354
• Molar Refractivity: 93.4602 cm^3
• Polarizability: 36.04534 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds