ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-3-{1-[(3-isopropyl-1,2-oxazol-5-yl)carbonyl]-4-piperidinyl}propanamide | C21H25ClFN3O3

N-(3-Chloro-4-fluorophenyl)-3-{1-[(3-isopropyl-1,2-oxazol-5-yl)carbonyl]-4-piperidinyl}propanamide

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID22171614

More details:






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

4-Piperidinepropanamide, N-(3-chloro-4-fluorophenyl)-1-[[3-(1-methylethyl)-5-isoxazolyl]carbonyl]- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-3-{1-[(3-isopropyl-1,2-oxazol-5-yl)carbonyl]-4-piperidinyl}propanamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-3-{1-[(3-isopropyl-1,2-oxazol-5-yl)carbonyl]-4-piperidinyl}propanamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-3-{1-[(3-isopropyl-1,2-oxazol-5-yl)carbonyl]-4-pipéridinyl}propanamide [French] [ACD/IUPAC Name]
N-(3-chloro-4-fluorophenyl)-3-{1-[(3-isopropyl-5-isoxazolyl)carbonyl]-4-piperidinyl}propanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.4±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 379.52
ACD/KOC (pH 5.5): 2442.42
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.52
ACD/KOC (pH 7.4): 2442.43
Polar Surface Area: 75 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

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