ChemSpider 2D Image | 3-{[1-(4-Butylphenyl)-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide | C28H23ClF3N3O3

3-{[1-(4-Butylphenyl)-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC28H23ClF3N3O3
  • Average mass541.949 Da
  • Monoisotopic mass541.138000 Da
  • ChemSpider ID1347210

More details:

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

3-{[1-(4-Butylphenyl)-4-chlor-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-{[1-(4-Butylphenyl)-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-{[1-(4-Butylphényl)-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[1-(4-butylphenyl)-4-chloro-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]- [ACD/Index 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: 562.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10043.08
ACD/KOC (pH 5.5): 25475.67
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10043.04
ACD/KOC (pH 7.4): 25475.58
Polar Surface Area: 79 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 383.4±5.0 cm3

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