ChemSpider 2D Image | N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-5-chloro-2-fluorobenzamide | C20H16ClF2N5O

N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-5-chloro-2-fluorobenzamide

  • Molecular FormulaC20H16ClF2N5O
  • Average mass415.824 Da
  • Monoisotopic mass415.101135 Da
  • ChemSpider ID70541732

More details:

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

Benzamide, N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl]-5-chloro-2-fluoro- [ACD/Index Name]
N-{3-[5-Amino-4-cyan-1-(4-fluorphenyl)-1H-pyrazol-3-yl]propyl}-5-chlor-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazol-3-yl]propyl}-5-chloro-2-fluorobenzamide [ACD/IUPAC Name]
N-{3-[5-Amino-4-cyano-1-(4-fluorophényl)-1H-pyrazol-3-yl]propyl}-5-chloro-2-fluorobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 106.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.30
ACD/KOC (pH 5.5): 1433.65
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.30
ACD/KOC (pH 7.4): 1433.65
Polar Surface Area: 97 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 295.0±7.0 cm3

Click to predict properties on the Chemicalize site


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