ChemSpider 2D Image | N-(4-Bromo-2-fluorophenyl)-3-(4-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1-piperazinyl)propanamide | C22H26BrFN4O2

N-(4-Bromo-2-fluorophenyl)-3-(4-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1-piperazinyl)propanamide

  • Molecular FormulaC22H26BrFN4O2
  • Average mass477.370 Da
  • Monoisotopic mass476.122314 Da
  • ChemSpider ID21723896

More details:

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

1-Piperazinepropanamide, N-(4-bromo-2-fluorophenyl)-4-[2-[(4-methylphenyl)amino]-2-oxoethyl]- [ACD/Index Name]
N-(4-Brom-2-fluorphenyl)-3-(4-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1-piperazinyl)propanamid [German] [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophenyl)-3-(4-{2-[(4-methylphenyl)amino]-2-oxoethyl}-1-piperazinyl)propanamide [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophényl)-3-(4-{2-[(4-méthylphényl)amino]-2-oxoéthyl}-1-pipérazinyl)propanamide [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: 666.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 31.30
ACD/KOC (pH 5.5): 233.86
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.26
ACD/KOC (pH 7.4): 1555.88
Polar Surface Area: 65 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

Click to predict properties on the Chemicalize site


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