ChemSpider 2D Image | 4-[N-(2-Chloro-6-fluorobenzyl)-N-cyclopropylglycyl]-2-piperazinone | C16H19ClFN3O2

4-[N-(2-Chloro-6-fluorobenzyl)-N-cyclopropylglycyl]-2-piperazinone

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID31051392

More details:

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

2-Piperazinone, 4-[2-[[(2-chloro-6-fluorophenyl)methyl]cyclopropylamino]acetyl]- [ACD/Index Name]
4-[N-(2-Chlor-6-fluorbenzyl)-N-cyclopropylglycyl]-2-piperazinon [German] [ACD/IUPAC Name]
4-[N-(2-Chloro-6-fluorobenzyl)-N-cyclopropylglycyl]-2-piperazinone [ACD/IUPAC Name]
4-[N-(2-Chloro-6-fluorobenzyl)-N-cyclopropylglycyl]-2-pipérazinone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 85.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 73.17
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.37
ACD/KOC (pH 7.4): 82.98
Polar Surface Area: 53 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 247.2±5.0 cm3

Click to predict properties on the Chemicalize site


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