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

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

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID119221325

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-fluoro-3-methylphenyl)-1-[2-(1H-indol-3-yl)ethyl]- [ACD/Index Name]
3-[(4-Chlor-3-nitrophenyl)amino]-4-(4-fluor-3-methylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(4-Chloro-3-nitrophenyl)amino]-4-(4-fluoro-3-methylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(4-Chloro-3-nitrophényl)amino]-4-(4-fluoro-3-méthylphényl)-1-[2-(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: 1.5±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6171.81
ACD/KOC (pH 5.5): 17979.14
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6171.81
ACD/KOC (pH 7.4): 17979.14
Polar Surface Area: 111 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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