ChemSpider 2D Image | 3-[4-(2-Chloro-4-fluorobenzoyl)-1-piperazinyl]-1-methyl-2-pyrrolidinone | C16H19ClFN3O2

3-[4-(2-Chloro-4-fluorobenzoyl)-1-piperazinyl]-1-methyl-2-pyrrolidinone

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID30225212

More details:






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

2-Pyrrolidinone, 3-[4-(2-chloro-4-fluorobenzoyl)-1-piperazinyl]-1-methyl- [ACD/Index Name]
3-[4-(2-Chlor-4-fluorbenzoyl)-1-piperazinyl]-1-methyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
3-[4-(2-Chloro-4-fluorobenzoyl)-1-piperazinyl]-1-methyl-2-pyrrolidinone [ACD/IUPAC Name]
3-[4-(2-Chloro-4-fluorobenzoyl)-1-pipérazinyl]-1-méthyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
3-[4-(2-CHLORO-4-FLUOROBENZOYL)PIPERAZIN-1-YL]-1-METHYLPYRROLIDIN-2-ONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 523.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.2±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 48.83
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 71.99
Polar Surface Area: 44 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

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