ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-N~3~-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide | C16H19ClFN3O2

N-(3-Chloro-4-fluorophenyl)-N3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N3-methyl-β-alaninamide

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID35085825

More details:






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

N-(3-Chlor-4-fluorphenyl)-N3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N3-methyl-β-alaninamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-N3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N3-methyl-β-alaninamide [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-N3-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-N3-méthyl-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-(3-chloro-4-fluorophenyl)-3-[[(3,5-dimethyl-4-isoxazolyl)methyl]methylamino]- [ACD/Index Name]
N1-(3-chloro-4-fluorophenyl)-N3-[(3,5-dimethylisoxazol-4-yl)methyl]-N3-methyl-β-alaninamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.8±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 19.50
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 27.34
ACD/KOC (pH 7.4): 346.61
Polar Surface Area: 58 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

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