ChemSpider 2D Image | 2-[1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[3-(3-pyridinyloxy)propyl]acetamide | C21H24ClFN4O3

2-[1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[3-(3-pyridinyloxy)propyl]acetamide

  • Molecular FormulaC21H24ClFN4O3
  • Average mass434.892 Da
  • Monoisotopic mass434.152100 Da
  • ChemSpider ID22160580

More details:

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

2-[1-(2-Chlor-6-fluorbenzyl)-3-oxo-2-piperazinyl]-N-[3-(3-pyridinyloxy)propyl]acetamid [German] [ACD/IUPAC Name]
2-[1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[3-(3-pyridinyloxy)propyl]acetamide [ACD/IUPAC Name]
2-[1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-pipérazinyl]-N-[3-(3-pyridinyloxy)propyl]acétamide [French] [ACD/IUPAC Name]
2-Piperazineacetamide, 1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-[3-(3-pyridinyloxy)propyl]- [ACD/Index Name]
2-{1-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-3-OXOPIPERAZIN-2-YL}-N-[3-(PYRIDIN-3-YLOXY)PROPYL]ACETAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 110.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 6.82
ACD/KOC (pH 5.5): 122.83
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.08
ACD/KOC (pH 7.4): 181.68
Polar Surface Area: 84 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 339.2±3.0 cm3

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