ChemSpider 2D Image | 4-({N-[(2-Chloro-6-fluorophenyl)acetyl]-N-ethyl-beta-alanyl}amino)benzamide | C20H21ClFN3O3

4-({N-[(2-Chloro-6-fluorophenyl)acetyl]-N-ethyl-β-alanyl}amino)benzamide

  • Molecular FormulaC20H21ClFN3O3
  • Average mass405.850 Da
  • Monoisotopic mass405.125549 Da
  • ChemSpider ID30040263

More details:

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

4-({N-[(2-Chlor-6-fluorphenyl)acetyl]-N-ethyl-β-alanyl}amino)benzamid [German] [ACD/IUPAC Name]
4-({N-[(2-Chloro-6-fluorophenyl)acetyl]-N-ethyl-β-alanyl}amino)benzamide [ACD/IUPAC Name]
4-({N-[2-(2-Chloro-6-fluorophényl)acétyl]-N-éthyl-β-alanyl}amino)benzamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-[3-[[4-(aminocarbonyl)phenyl]amino]-3-oxopropyl]-2-chloro-N-ethyl-6-fluoro- [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: 654.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.41
ACD/KOC (pH 5.5): 322.35
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.41
ACD/KOC (pH 7.4): 322.35
Polar Surface Area: 93 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 305.0±3.0 cm3

Click to predict properties on the Chemicalize site


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