ChemSpider 2D Image | 4-Amino-5-chloro-N-[(3-exo)-9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]-2-methoxybenzamide | C23H27ClFN3O2

4-Amino-5-chloro-N-[(3-exo)-9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]-2-methoxybenzamide

  • Molecular FormulaC23H27ClFN3O2
  • Average mass431.931 Da
  • Monoisotopic mass431.177582 Da
  • ChemSpider ID31128457

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Amino-5-chlor-N-[(3-exo)-9-(4-fluorbenzyl)-9-azabicyclo[3.3.1]non-3-yl]-2-methoxybenzamid [German] [ACD/IUPAC Name]
4-Amino-5-chloro-N-[(3-exo)-9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]-2-methoxybenzamide [ACD/IUPAC Name]
4-Amino-5-chloro-N-[(3-exo)-9-(4-fluorobenzyl)-9-azabicyclo[3.3.1]non-3-yl]-2-méthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-5-chloro-N-[(3-exo)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]non-3-yl]-2-methoxy- [ACD/Index Name]

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

Brl 34778 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 9.64
Polar Surface Area: 68 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

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