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

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

  • Molecular FormulaC22H23BrFN3O2
  • Average mass460.339 Da
  • Monoisotopic mass459.095764 Da
  • ChemSpider ID22728825

More details:






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

1-(4-Brom-2-methylphenyl)-3-{[4-(2-fluorphenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(4-Bromo-2-methylphenyl)-3-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-(4-Bromo-2-méthylphényl)-3-{[4-(2-fluorophényl)-1-pipérazinyl]carbonyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-(4-bromo-2-methylphenyl)-3-[[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: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.36
ACD/KOC (pH 5.5): 2001.26
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.28
ACD/KOC (pH 7.4): 2000.70
Polar Surface Area: 44 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 317.2±3.0 cm3

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