ChemSpider 2D Image | 3-[(4-Chloro-3-nitrophenyl)amino]-4-(4-fluorophenyl)-1-[2-(1-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2,5-dione | C27H20ClFN4O4

3-[(4-Chloro-3-nitrophenyl)amino]-4-(4-fluorophenyl)-1-[2-(1-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID118896228

More details:

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

1H-Pyrrole-2,5-dione, 3-[(4-chloro-3-nitrophenyl)amino]-4-(4-fluorophenyl)-1-[2-(1-methyl-1H-indol-3-yl)ethyl]- [ACD/Index Name]
3-[(4-Chlor-3-nitrophenyl)amino]-4-(4-fluorphenyl)-1-[2-(1-methyl-1H-indol-3-yl)ethyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(4-Chloro-3-nitrophenyl)amino]-4-(4-fluorophenyl)-1-[2-(1-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(4-Chloro-3-nitrophényl)amino]-4-(4-fluorophényl)-1-[2-(1-méthyl-1H-indol-3-yl)éthyl]-1H-pyrrole-2,5-dione [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: 697.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7568.75
ACD/KOC (pH 5.5): 20806.37
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7568.75
ACD/KOC (pH 7.4): 20806.37
Polar Surface Area: 100 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 361.6±7.0 cm3

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