ChemSpider 2D Image | 2-{4-[N-(4-Bromobenzyl)-N-methylglycyl]-1-piperazinyl}-N-(3-fluorophenyl)acetamide | C22H26BrFN4O2

2-{4-[N-(4-Bromobenzyl)-N-methylglycyl]-1-piperazinyl}-N-(3-fluorophenyl)acetamide

  • Molecular FormulaC22H26BrFN4O2
  • Average mass477.370 Da
  • Monoisotopic mass476.122314 Da
  • ChemSpider ID22043392

More details:

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

1-Piperazineacetamide, 4-[2-[[(4-bromophenyl)methyl]methylamino]acetyl]-N-(3-fluorophenyl)- [ACD/Index Name]
2-{4-[N-(4-Brombenzyl)-N-methylglycyl]-1-piperazinyl}-N-(3-fluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-{4-[N-(4-Bromobenzyl)-N-methylglycyl]-1-piperazinyl}-N-(3-fluorophenyl)acetamide [ACD/IUPAC Name]
2-{4-[N-(4-Bromobenzyl)-N-méthylglycyl]-1-pipérazinyl}-N-(3-fluorophényl)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: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.614
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: 4.57
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 14.98
ACD/KOC (pH 5.5): 112.14
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 189.52
ACD/KOC (pH 7.4): 1418.89
Polar Surface Area: 56 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

Click to predict properties on the Chemicalize site


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