5P9

N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide

Created:2021-07-14
Last modified:  2021-10-06

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count33
Aromatic Bond Count12
2D diagram of 5P9

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Chemical Component Summary

NameN-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide
Synonyms(1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
Systematic Name (OpenEye OEToolkits)(1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
FormulaC15 H11 Cl N2 O2
Molecular Weight286.713
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Clc1ccc(NC(=O)[CH]2CC(=O)c3ccccc23)nc1
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(CC2=O)C(=O)Nc3ccc(cn3)Cl
Canonical SMILESCACTVS3.385 Clc1ccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)nc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl
InChIInChI1.03 InChI=1S/C15H11ClN2O2/c16-9-5-6-14(17-8-9)18-15(20)12-7-13(19)11-4-2-1-3-10(11)12/h1-6,8,12H,7H2,(H,17,18,20)/t12-/m1/s1
InChIKeyInChI1.03 SHUGQXDCDVWNCL-GFCCVEGCSA-N

Related Resource References

Resource NameReference
PubChem 51894193