ChemSpider 2D Image | 4-Chloro-N-[1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-quinolinyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-2-nitrobenzamide | C28H27ClFN3O5

4-Chloro-N-[1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-quinolinyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-2-nitrobenzamide

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID122313534

More details:

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

4-Chlor-N-[1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-chinolinyl)-3-(4-fluorphenyl)-1-oxo-2-propanyl]-2-nitrobenzamid [German] [ACD/IUPAC Name]
4-Chloro-N-[1-(3-éthyl-6-méthoxy-3,4-dihydro-1(2H)-quinoléinyl)-3-(4-fluorophényl)-1-oxo-2-propanyl]-2-nitrobenzamide [French] [ACD/IUPAC Name]
4-Chloro-N-[1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-quinolinyl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-2-nitrobenzamide [ACD/IUPAC Name]
Benzamide, 4-chloro-N-[2-(3-ethyl-3,4-dihydro-6-methoxy-1(2H)-quinolinyl)-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-2-nitro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18162.80
ACD/KOC (pH 5.5): 38930.98
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18163.11
ACD/KOC (pH 7.4): 38931.62
Polar Surface Area: 104 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 410.5±3.0 cm3

Click to predict properties on the Chemicalize site


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