ChemSpider 2D Image | 3-{2-[{[2,5-Dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl}(methyl)amino]ethyl}-1,1-dimethylurea | C19H25F3N4O

3-{2-[{[2,5-Dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl}(methyl)amino]ethyl}-1,1-dimethylurea

  • Molecular FormulaC19H25F3N4O
  • Average mass382.423 Da
  • Monoisotopic mass382.198059 Da
  • ChemSpider ID30421336

More details:

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

3-{2-[{[2,5-Dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl}(methyl)amino]ethyl}-1,1-dimethylurea [ACD/IUPAC Name]
3-{2-[{[2,5-Diméthyl-1-(2,3,4-trifluorophényl)-1H-pyrrol-3-yl]méthyl}(méthyl)amino]éthyl}-1,1-diméthylurée [French] [ACD/IUPAC Name]
3-{2-[{[2,5-Dimethyl-1-(2,3,4-trifluorphenyl)-1H-pyrrol-3-yl]methyl}(methyl)amino]ethyl}-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
Urea, N'-[2-[[[2,5-dimethyl-1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]methyl]methylamino]ethyl]-N,N-dimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 514.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.6±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.11
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 32.87
ACD/KOC (pH 7.4): 259.76
Polar Surface Area: 41 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 33.3±7.0 dyne/cm
Molar Volume: 320.1±7.0 cm3

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