V1X

2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide

Created: 2023-02-20
Last modified:  2024-02-28

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count44
Aromatic Bond Count12
2D diagram of V1X
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Chemical Component Summary

Name2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide
Synonyms2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide
Systematic Name (OpenEye OEToolkits)2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide
FormulaC17 H14 Cl2 F3 N3 O4
Molecular Weight452.212
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2CCO
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2CCO)Cl)Cl)C(=O)N
Canonical SMILESCACTVS3.385 NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2CCO
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2CCO)Cl)Cl)C(=O)N
InChIInChI1.06 InChI=1S/C17H14Cl2F3N3O4/c18-8-5-12(19)10(3-4-26)13(6-8)24-16(28)25-14-7-9(29-17(20,21)22)1-2-11(14)15(23)27/h1-2,5-7,26H,3-4H2,(H2,23,27)(H2,24,25,28)
InChIKeyInChI1.06 ZBQIFPAPLDHKHL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 170838484