ChemSpider 2D Image | N-(2-{[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]amino}-2-oxo-1-phenylethyl)-2-chloro-6-fluorobenzamide | C28H27ClFN3O5

N-(2-{[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]amino}-2-oxo-1-phenylethyl)-2-chloro-6-fluorobenzamide

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID121243366

More details:

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

Benzeneacetamide, N-[2-(1,3-benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]-α-[(2-chloro-6-fluorobenzoyl)amino]- [ACD/Index Name]
N-(2-{[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]amino}-2-oxo-1-phenylethyl)-2-chlor-6-fluorbenzamid [German] [ACD/IUPAC Name]
N-(2-{[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]amino}-2-oxo-1-phenylethyl)-2-chloro-6-fluorobenzamide [ACD/IUPAC Name]
N-(2-{[2-(1,3-Benzodioxol-5-yl)-2-(4-morpholinyl)éthyl]amino}-2-oxo-1-phényléthyl)-2-chloro-6-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: 732.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.7±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 56.41
ACD/KOC (pH 5.5): 520.59
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.52
ACD/KOC (pH 7.4): 973.88
Polar Surface Area: 89 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 396.6±3.0 cm3

Click to predict properties on the Chemicalize site


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