N-(2-fluorophenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 198092
• Molecular Formular: C23H16FNO4
• Molecular Mass: 389.3758432
• Monoisotopic Mass: 389.10633622
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1c(F)cccc1)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1F)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H16FNO4/c24-19-8-4-5-9-20(19)25-22(26)14-28-16-10-11-17-18(15-6-2-1-3-7-15)13-23(27)29-21(17)12-16/h1-13H,14H2,(H,25,26)
• InChIKey: ZCQJQCVUICCACK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(2-fluorophenyl)-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164254002
• PubChem CID: 1752409

CALCULATED PROPERTIES

• Acid pKa: 11.212423
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1138735
• LogD (pH = 7.4): 4.1138105
• Log P: 4.113874
• Molar Refractivity: 116.1428 cm^3
• Polarizability: 40.09735 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds