ChemSpider 2D Image | (2E)-3-(5-Bromo-2-fluorophenyl)-N-{3-[(4-methyl-1-piperazinyl)methyl]phenyl}acrylamide | C21H23BrFN3O

(2E)-3-(5-Bromo-2-fluorophenyl)-N-{3-[(4-methyl-1-piperazinyl)methyl]phenyl}acrylamide

  • Molecular FormulaC21H23BrFN3O
  • Average mass432.329 Da
  • Monoisotopic mass431.100861 Da
  • ChemSpider ID31893896

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(5-Brom-2-fluorphenyl)-N-{3-[(4-methyl-1-piperazinyl)methyl]phenyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(5-Bromo-2-fluorophenyl)-N-{3-[(4-methyl-1-piperazinyl)methyl]phenyl}acrylamide [ACD/IUPAC Name]
(2E)-3-(5-Bromo-2-fluorophényl)-N-{3-[(4-méthyl-1-pipérazinyl)méthyl]phényl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-(5-bromo-2-fluorophenyl)-N-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-, (2E)- [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: 565.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 9.58
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 54.68
ACD/KOC (pH 7.4): 451.48
Polar Surface Area: 36 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 309.2±3.0 cm3

Click to predict properties on the Chemicalize site


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