ChemSpider 2D Image | 2-Chloro-N-(2-{[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-oxo-1-phenylethyl)-6-fluorobenzamide | C28H31ClFN3O5

2-Chloro-N-(2-{[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-oxo-1-phenylethyl)-6-fluorobenzamide

  • Molecular FormulaC28H31ClFN3O5
  • Average mass544.014 Da
  • Monoisotopic mass543.193604 Da
  • ChemSpider ID121242415

More details:

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

2-Chlor-N-(2-{[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-oxo-1-phenylethyl)-6-fluorbenzamid [German] [ACD/IUPAC Name]
2-Chloro-N-(2-{[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]amino}-2-oxo-1-phenylethyl)-6-fluorobenzamide [ACD/IUPAC Name]
2-Chloro-N-(2-{[2-(diméthylamino)-2-(3,4,5-triméthoxyphényl)éthyl]amino}-2-oxo-1-phényléthyl)-6-fluorobenzamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[(2-chloro-6-fluorobenzoyl)amino]-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 5.57
ACD/KOC (pH 5.5): 43.90
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 131.16
ACD/KOC (pH 7.4): 1033.53
Polar Surface Area: 89 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 436.6±3.0 cm3

Click to predict properties on the Chemicalize site


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