ChemSpider 2D Image | 1-(3-Bromobenzyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone | C22H23BrFN3O2

1-(3-Bromobenzyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID22793242

More details:






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

1-(3-Brombenzyl)-4-{[4-(2-fluorphenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(3-Bromobenzyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-(3-Bromobenzyl)-4-{[4-(2-fluorophényl)-1-pipérazinyl]carbonyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[(3-bromophenyl)methyl]-4-[[4-(2-fluorophenyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.95
ACD/KOC (pH 5.5): 1374.21
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.99
ACD/KOC (pH 7.4): 1374.50
Polar Surface Area: 44 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement