ChemSpider 2D Image | N-(4-Bromobenzyl)-2-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1-piperazinyl)-N-methylacetamide | C22H26BrFN4O2

N-(4-Bromobenzyl)-2-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1-piperazinyl)-N-methylacetamide

  • Molecular FormulaC22H26BrFN4O2
  • Average mass477.370 Da
  • Monoisotopic mass476.122314 Da
  • ChemSpider ID21728467

More details:

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

1,4-Piperazinediacetamide, N1-[(4-bromophenyl)methyl]-N4-(4-fluorophenyl)-N1-methyl- [ACD/Index Name]
N-(4-Brombenzyl)-2-(4-{2-[(4-fluorphenyl)amino]-2-oxoethyl}-1-piperazinyl)-N-methylacetamid [German] [ACD/IUPAC Name]
N-(4-Bromobenzyl)-2-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1-piperazinyl)-N-methylacetamide [ACD/IUPAC Name]
N-(4-Bromobenzyl)-2-(4-{2-[(4-fluorophényl)amino]-2-oxoéthyl}-1-pipérazinyl)-N-méthylacétamide [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: 644.3±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: 1.608
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 48.52
ACD/KOC (pH 5.5): 501.92
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.00
ACD/KOC (pH 7.4): 734.56
Polar Surface Area: 56 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

Click to predict properties on the Chemicalize site


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