ChemSpider 2D Image | 1-(2-Bromophenyl)-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-2-oxo-3-pyrrolidinecarboxamide | C23H26BrFN4O2

1-(2-Bromophenyl)-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-2-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC23H26BrFN4O2
  • Average mass489.380 Da
  • Monoisotopic mass488.122314 Da
  • ChemSpider ID31597943

More details:

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

1-(2-Bromophenyl)-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-2-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(2-Bromophényl)-N-{2-[4-(4-fluorophényl)-1-pipérazinyl]éthyl}-2-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-(2-Bromphenyl)-N-{2-[4-(4-fluorphenyl)-1-piperazinyl]ethyl}-2-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(2-bromophenyl)-N-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-2-oxo- [ACD/Index 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: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 4.16
ACD/KOC (pH 5.5): 44.30
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 47.18
ACD/KOC (pH 7.4): 502.96
Polar Surface Area: 56 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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