YRA

3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide

Created:2016-12-14
Last modified:  2017-05-24

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12
2D diagram of YRA

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Chemical Component Summary

Name3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide
Systematic Name (OpenEye OEToolkits)3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide
FormulaC16 H17 Cl N2 O
Molecular Weight288.772
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N
Canonical SMILESCACTVS3.385 NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N
InChIInChI1.03 InChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20)
InChIKeyInChI1.03 ZYJVPHMDRCBKBZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 126970798
ChEMBL CHEMBL4117935