ChemSpider 2D Image | (2E)-N-(5-Bromo-2-fluorobenzyl)-2-cyano-3-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-N-methylacrylamide | C23H25BrFN3O2

(2E)-N-(5-Bromo-2-fluorobenzyl)-2-cyano-3-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-N-methylacrylamide

  • Molecular FormulaC23H25BrFN3O2
  • Average mass474.366 Da
  • Monoisotopic mass473.111420 Da
  • ChemSpider ID48246997

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(5-Brom-2-fluorbenzyl)-2-cyan-3-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-N-methylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-(5-Bromo-2-fluorobenzyl)-2-cyano-3-[2,5-dimethyl-1-(tetrahydro-2-furanylmethyl)-1H-pyrrol-3-yl]-N-methylacrylamide [ACD/IUPAC Name]
(2E)-N-(5-Bromo-2-fluorobenzyl)-2-cyano-3-[2,5-diméthyl-1-(tétrahydro-2-furanylméthyl)-1H-pyrrol-3-yl]-N-méthylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(5-bromo-2-fluorophenyl)methyl]-2-cyano-3-[2,5-dimethyl-1-[(tetrahydro-2-furanyl)methyl]-1H-pyrrol-3-yl]-N-methyl-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 341.0±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1774.51
ACD/KOC (pH 5.5): 7366.94
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1774.51
ACD/KOC (pH 7.4): 7366.94
Polar Surface Area: 58 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 352.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement