ChemSpider 2D Image | 3-[(2-Chloro-5-nitrobenzyl)(methyl)amino]-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-propanone | C21H24ClFN4O3

3-[(2-Chloro-5-nitrobenzyl)(methyl)amino]-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC21H24ClFN4O3
  • Average mass434.892 Da
  • Monoisotopic mass434.152100 Da
  • ChemSpider ID29973612

More details:

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

1-Propanone, 3-[[(2-chloro-5-nitrophenyl)methyl]methylamino]-1-[4-(4-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]
3-[(2-Chlor-5-nitrobenzyl)(methyl)amino]-1-[4-(4-fluorphenyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[(2-Chloro-5-nitrobenzyl)(methyl)amino]-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-[(2-Chloro-5-nitrobenzyl)(méthyl)amino]-1-[4-(4-fluorophényl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.9±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 10.69
ACD/KOC (pH 5.5): 73.29
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 224.51
ACD/KOC (pH 7.4): 1539.87
Polar Surface Area: 73 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

Click to predict properties on the Chemicalize site


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