ChemSpider 2D Image | 5-{4-[Benzyl(ethyl)amino]phenyl}-4-(2,4-difluorobenzoyl)-3-hydroxy-1-(2-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C32H27F2N3O3

5-{4-[Benzyl(ethyl)amino]phenyl}-4-(2,4-difluorobenzoyl)-3-hydroxy-1-(2-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID117983038

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-Pyrrol-2-one, 4-(2,4-difluorobenzoyl)-5-[4-[ethyl(phenylmethyl)amino]phenyl]-1,5-dihydro-3-hydroxy-1-(2-pyridinylmethyl)- [ACD/Index Name]
5-{4-[Benzyl(ethyl)amino]phenyl}-4-(2,4-difluorbenzoyl)-3-hydroxy-1-(2-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-{4-[Benzyl(ethyl)amino]phenyl}-4-(2,4-difluorobenzoyl)-3-hydroxy-1-(2-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-{4-[Benzyl(éthyl)amino]phényl}-4-(2,4-difluorobenzoyl)-3-hydroxy-1-(2-pyridinylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 148.59
ACD/KOC (pH 5.5): 585.56
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 3.37
ACD/KOC (pH 7.4): 13.27
Polar Surface Area: 74 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

Click to predict properties on the Chemicalize site


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