ChemSpider 2D Image | 2-[(3,4-Difluorophenyl)amino]-2-oxoethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate | C24H18F2N2O5

2-[(3,4-Difluorophenyl)amino]-2-oxoethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate

  • Molecular FormulaC24H18F2N2O5
  • Average mass452.407 Da
  • Monoisotopic mass452.118378 Da
  • ChemSpider ID27429569

More details:

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

1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 1,3-dioxo-, 2-[(3,4-difluorophenyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(3,4-Difluorophenyl)amino]-2-oxoethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate [ACD/IUPAC Name]
2-[(3,4-Difluorphenyl)amino]-2-oxoethyl-4-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)butanoat [German] [ACD/IUPAC Name]
4-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)butanoate de 2-[(3,4-difluorophényl)amino]-2-oxoéthyle [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: 677.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 353.53
ACD/KOC (pH 5.5): 2321.51
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 353.41
ACD/KOC (pH 7.4): 2320.72
Polar Surface Area: 93 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

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