ChemSpider 2D Image | 4'-[(1R)-1-Amino-2-(2,5-difluorophenyl)ethyl]-3-biphenylcarboxamide | C21H18F2N2O

4'-[(1R)-1-Amino-2-(2,5-difluorophenyl)ethyl]-3-biphenylcarboxamide

  • Molecular FormulaC21H18F2N2O
  • Average mass352.377 Da
  • Monoisotopic mass352.138733 Da
  • ChemSpider ID23329644

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-3-carboxamide, 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]- [ACD/Index Name]
4'-[(1R)-1-Amino-2-(2,5-difluorophenyl)ethyl]-3-biphenylcarboxamide [ACD/IUPAC Name]
4'-[(1R)-1-Amino-2-(2,5-difluorophényl)éthyl]-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
4'-[(1R)-1-Amino-2-(2,5-difluorphenyl)ethyl]-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
3-{4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl}benzamide
4'-[(R)-1-Amino-2-(2,5-difluoro-phenyl)-ethyl]-biphenyl-3-carboxylic acid amide
CHEMBL452289
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452289/

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

605 [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: 505.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 18.44
ACD/KOC (pH 7.4): 173.37
Polar Surface Area: 69 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 279.8±3.0 cm3

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