ChemSpider 2D Image | 1-[4-(Dimethylamino)butyl]-3-(4-fluorophenyl)-4-[(2-iodo-4-methylphenyl)amino]-1H-pyrrole-2,5-dione | C23H25FIN3O2

1-[4-(Dimethylamino)butyl]-3-(4-fluorophenyl)-4-[(2-iodo-4-methylphenyl)amino]-1H-pyrrole-2,5-dione

  • Molecular FormulaC23H25FIN3O2
  • Average mass521.366 Da
  • Monoisotopic mass521.097534 Da
  • ChemSpider ID118844967

More details:

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

1-[4-(Dimethylamino)butyl]-3-(4-fluorophenyl)-4-[(2-iodo-4-methylphenyl)amino]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-[4-(Diméthylamino)butyl]-3-(4-fluorophényl)-4-[(2-iodo-4-méthylphényl)amino]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1-[4-(Dimethylamino)butyl]-3-(4-fluorphenyl)-4-[(2-iod-4-methylphenyl)amino]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-[4-(dimethylamino)butyl]-3-(4-fluorophenyl)-4-[(2-iodo-4-methylphenyl)amino]- [ACD/Index 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: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 21.69
Polar Surface Area: 53 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 344.6±3.0 cm3

Click to predict properties on the Chemicalize site


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