ChemSpider 2D Image | N-[2-(1-Azepanyl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-(4-chlorophenyl)acetamide | C21H28ClN3O

N-[2-(1-Azepanyl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-(4-chlorophenyl)acetamide

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID26288096

More details:

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

Benzeneacetamide, 4-chloro-N-[2-(hexahydro-1H-azepin-1-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl]- [ACD/Index Name]
N-[2-(1-Azepanyl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-(4-chlorophenyl)acetamide [ACD/IUPAC Name]
N-[2-(1-Azépanyl)-2-(1-méthyl-1H-pyrrol-2-yl)éthyl]-2-(4-chlorophényl)acétamide [French] [ACD/IUPAC Name]
N-[2-(1-Azepanyl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-(4-chlorphenyl)acetamid [German] [ACD/IUPAC Name]
1049464-85-8 [RN]
N-(2-(azepan-1-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-2-(4-chlorophenyl)acetamide
N-[2-(azepan-1-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-(4-chlorophenyl)acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.51
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 38.09
ACD/KOC (pH 7.4): 217.32
Polar Surface Area: 37 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 317.0±7.0 cm3

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