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

• ChemBase ID: 195286
• Molecular Formular: C24H16F3NO5
• Molecular Mass: 455.3827496
• Monoisotopic Mass: 455.09805728
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1ccc(OC(F)(F)F)cc1)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1)OC(F)(F)F)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H16F3NO5/c25-24(26,27)33-17-8-6-16(7-9-17)28-22(29)14-31-18-10-11-19-20(15-4-2-1-3-5-15)13-23(30)32-21(19)12-18/h1-13H,14H2,(H,28,29)
• InChIKey: AYOWVLCENUXSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251196
• PubChem CID: 1748640

CALCULATED PROPERTIES

• Acid pKa: 12.652765
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.4022837
• LogD (pH = 7.4): 5.4022813
• Log P: 5.4022837
• Molar Refractivity: 118.9967 cm^3
• Polarizability: 42.216053 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds