ChemSpider 2D Image | N-(2-Bromophenyl)-2-[{2-[4-(2-fluorobenzyl)-1-piperazinyl]-2-oxoethyl}(methyl)amino]acetamide | C22H26BrFN4O2

N-(2-Bromophenyl)-2-[{2-[4-(2-fluorobenzyl)-1-piperazinyl]-2-oxoethyl}(methyl)amino]acetamide

  • Molecular FormulaC22H26BrFN4O2
  • Average mass477.370 Da
  • Monoisotopic mass476.122314 Da
  • ChemSpider ID21747805

More details:

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

Acetamide, N-(2-bromophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]methylamino]- [ACD/Index Name]
N-(2-Bromophenyl)-2-[{2-[4-(2-fluorobenzyl)-1-piperazinyl]-2-oxoethyl}(methyl)amino]acetamide [ACD/IUPAC Name]
N-(2-Bromophényl)-2-[{2-[4-(2-fluorobenzyl)-1-pipérazinyl]-2-oxoéthyl}(méthyl)amino]acétamide [French] [ACD/IUPAC Name]
N-(2-Bromphenyl)-2-[{2-[4-(2-fluorbenzyl)-1-piperazinyl]-2-oxoethyl}(methyl)amino]acetamid [German] [ACD/IUPAC Name]
N-(2-BROMOPHENYL)-2-[(2-{4-[(2-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}-2-OXOETHYL)(METHYL)AMINO]ACETAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 18.40
ACD/KOC (pH 5.5): 228.81
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.95
ACD/KOC (pH 7.4): 459.42
Polar Surface Area: 56 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

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