Found 1 result

Search term: Fc1cc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc23)ccc1Cl (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(4-Chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydro-1-isoquinolinylmethyl]ethanediamide | C18H17ClFN3O2

N-(4-Chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydro-1-isoquinolinylmethyl]ethanediamide

  • Molecular FormulaC18H17ClFN3O2
  • Average mass361.798 Da
  • Monoisotopic mass361.099335 Da
  • ChemSpider ID35033392

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethanediamide, N1-(4-chloro-3-fluorophenyl)-N2-[[(1S)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl]- [ACD/Index Name]
N-(4-Chlor-3-fluorphenyl)-N'-[(1S)-1,2,3,4-tetrahydro-1-isochinolinylmethyl]ethandiamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-fluorophényl)-N'-[(1S)-1,2,3,4-tétrahydro-1-isoquinoléinylméthyl]éthanediamide [French] [ACD/IUPAC Name]
N-(4-Chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydro-1-isoquinolinylmethyl]ethanediamide [ACD/IUPAC Name]
N-(4-Chloro-3-Fluorophenyl)-N'-[(1s)-1,2,3,4-Tetrahydroisoquinolin-1-Ylmethyl]ethanediamide
0LZ

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 44.72
Polar Surface Area: 70 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 269.4±3.0 cm3

Click to predict properties on the Chemicalize site


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