ChemSpider 2D Image | N-({2-[(2-Chloro-6-fluorobenzoyl)amino]ethyl}carbamoyl)-N-ethyl-beta-alanine | C15H19ClFN3O4

N-({2-[(2-Chloro-6-fluorobenzoyl)amino]ethyl}carbamoyl)-N-ethyl-β-alanine

  • Molecular FormulaC15H19ClFN3O4
  • Average mass359.780 Da
  • Monoisotopic mass359.104797 Da
  • ChemSpider ID76054230

More details:

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

N-({2-[(2-Chlor-6-fluorbenzoyl)amino]ethyl}carbamoyl)-N-ethyl-β-alanin [German] [ACD/IUPAC Name]
N-({2-[(2-Chloro-6-fluorobenzoyl)amino]ethyl}carbamoyl)-N-ethyl-β-alanine [ACD/IUPAC Name]
N-({2-[(2-Chloro-6-fluorobenzoyl)amino]éthyl}carbamoyl)-N-éthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]amino]carbonyl]-N-ethyl- [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: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.94
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 269.3±3.0 cm3

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