ChemSpider 2D Image | 2-{4-[(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoyl]-1-piperazinyl}-N-(2,3-dimethylphenyl)acetamide | C23H25BrFN3O2

2-{4-[(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoyl]-1-piperazinyl}-N-(2,3-dimethylphenyl)acetamide

  • Molecular FormulaC23H25BrFN3O2
  • Average mass474.366 Da
  • Monoisotopic mass473.111420 Da
  • ChemSpider ID22842677

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazineacetamide, 4-[(2E)-3-(5-bromo-2-fluorophenyl)-1-oxo-2-propen-1-yl]-N-(2,3-dimethylphenyl)- [ACD/Index Name]
2-{4-[(2E)-3-(5-Brom-2-fluorphenyl)-2-propenoyl]-1-piperazinyl}-N-(2,3-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{4-[(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoyl]-1-piperazinyl}-N-(2,3-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-{4-[(2E)-3-(5-Bromo-2-fluorophényl)-2-propenoyl]-1-pipérazinyl}-N-(2,3-diméthylphényl)acétamide [French] [ACD/IUPAC 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: 644.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.21
ACD/KOC (pH 5.5): 1655.39
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.21
ACD/KOC (pH 7.4): 1670.33
Polar Surface Area: 53 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


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