ChemSpider 2D Image | 1-(3-Chloro-4-fluorophenyl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone | C19H19ClFN5O2

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

  • Molecular FormulaC19H19ClFN5O2
  • Average mass403.838 Da
  • Monoisotopic mass403.121124 Da
  • ChemSpider ID26008576

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 723.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.3±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 20.64
ACD/KOC (pH 5.5): 282.78
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.49
ACD/KOC (pH 7.4): 362.96
Polar Surface Area: 70 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 283.1±3.0 cm3

Click to predict properties on the Chemicalize site


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