ChemSpider 2D Image | 2-[4-(4-Chlorobenzyl)-1,4-diazepan-1-yl]-N-(3,5-difluorophenyl)acetamide | C20H22ClF2N3O

2-[4-(4-Chlorobenzyl)-1,4-diazepan-1-yl]-N-(3,5-difluorophenyl)acetamide

  • Molecular FormulaC20H22ClF2N3O
  • Average mass393.858 Da
  • Monoisotopic mass393.141937 Da
  • ChemSpider ID21893672

More details:

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

1H-1,4-Diazepine-1-acetamide, 4-[(4-chlorophenyl)methyl]-N-(3,5-difluorophenyl)hexahydro- [ACD/Index Name]
2-[4-(4-Chlorbenzyl)-1,4-diazepan-1-yl]-N-(3,5-difluorphenyl)acetamid [German] [ACD/IUPAC Name]
2-[4-(4-Chlorobenzyl)-1,4-diazepan-1-yl]-N-(3,5-difluorophenyl)acetamide [ACD/IUPAC Name]
2-[4-(4-Chlorobenzyl)-1,4-diazépan-1-yl]-N-(3,5-difluorophényl)acétamide [French] [ACD/IUPAC 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: 514.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.1±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 9.39
ACD/KOC (pH 5.5): 54.35
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 317.36
ACD/KOC (pH 7.4): 1837.35
Polar Surface Area: 36 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

Click to predict properties on the Chemicalize site


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