ChemSpider 2D Image | 2-(3-Chloro-4-fluorophenoxy)-1-{4-[4-(1-pyrrolidinylcarbonyl)-1H-pyrazol-3-yl]-1-piperidinyl}ethanone | C21H24ClFN4O3

2-(3-Chloro-4-fluorophenoxy)-1-{4-[4-(1-pyrrolidinylcarbonyl)-1H-pyrazol-3-yl]-1-piperidinyl}ethanone

  • Molecular FormulaC21H24ClFN4O3
  • Average mass434.892 Da
  • Monoisotopic mass434.152100 Da
  • ChemSpider ID29900653

More details:

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

2-(3-Chlor-4-fluorphenoxy)-1-{4-[4-(1-pyrrolidinylcarbonyl)-1H-pyrazol-3-yl]-1-piperidinyl}ethanon [German] [ACD/IUPAC Name]
2-(3-Chloro-4-fluorophenoxy)-1-{4-[4-(1-pyrrolidinylcarbonyl)-1H-pyrazol-3-yl]-1-piperidinyl}ethanone [ACD/IUPAC Name]
2-(3-Chloro-4-fluorophénoxy)-1-{4-[4-(1-pyrrolidinylcarbonyl)-1H-pyrazol-3-yl]-1-pipéridinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(3-chloro-4-fluorophenoxy)-1-[4-[4-(1-pyrrolidinylcarbonyl)-1H-pyrazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
2-(3-CHLORO-4-FLUOROPHENOXY)-1-{4-[4-(PYRROLIDINE-1-CARBONYL)-1H-PYRAZOL-3-YL]PIPERIDIN-1-YL}ETHAN-1-ONE
2-(3-CHLORO-4-FLUOROPHENOXY)-1-{4-[4-(PYRROLIDINE-1-CARBONYL)-1H-PYRAZOL-3-YL]PIPERIDIN-1-YL}ETHANONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.49
ACD/KOC (pH 5.5): 543.37
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.50
ACD/KOC (pH 7.4): 543.47
Polar Surface Area: 79 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 316.4±3.0 cm3

Click to predict properties on the Chemicalize site


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