ChemSpider 2D Image | 1-(3-Chloro-4-fluorophenyl)-4-{[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone | C23H25ClFN3O3

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

  • Molecular FormulaC23H25ClFN3O3
  • Average mass445.914 Da
  • Monoisotopic mass445.156860 Da
  • ChemSpider ID26008571

More details:

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

1-(3-Chlor-4-fluorphenyl)-4-{[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(3-Chloro-4-fluorophenyl)-4-{[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-(3-Chloro-4-fluorophényl)-4-{[4-(2-éthoxyphényl)-1-pipérazinyl]carbonyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-(3-chloro-4-fluorophenyl)-4-[[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
1-(3-Chloro-4-fluoro-phenyl)-4-[4-(2-ethoxy-phenyl)-piperazine-1-carbonyl]-pyrrolidin-2-one
1-(3-chloro-4-fluorophenyl)-4-{[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl}pyrrolidin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.43
ACD/KOC (pH 5.5): 1708.07
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.81
ACD/KOC (pH 7.4): 1710.90
Polar Surface Area: 53 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 337.2±3.0 cm3

Click to predict properties on the Chemicalize site


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