1HX

N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide


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Chemical Component Summary

NameN-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide
IdentifiersN-[(1S)-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-5-cyano-1-methyl-pyrrole-2-carboxamide
FormulaC15 H13 Cl F N3 O
Molecular Weight305.735
TypeNON-POLYMER
Isomeric SMILESC[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N
InChIInChI=1S/C15H13ClFN3O/c1-9(14-11(16)4-3-5-12(14)17)19-15(21)13-7-6-10(8-18)20(13)2/h3-7,9H,1-2H3,(H,19,21)/t9-/m0/s1
InChIKeyOVRPUVGBRNDNAS-VIFPVBQESA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count35
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 24857830
ChEMBL CHEMBL259796