Q8F

4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

Created: 2022-10-14
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count0
Bond Count65
Aromatic Bond Count18
2D diagram of Q8F
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Chemical Component Summary

Name4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
Systematic Name (OpenEye OEToolkits)4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
FormulaC27 H24 Cl F5 N2 O4
Molecular Weight570.935
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COCCOCc1cc(F)ccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3C)C(F)(F)F)c(Cl)cc2F
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3COCCOC)F)C(F)(F)F
Canonical SMILESCACTVS3.385 COCCOCc1cc(F)ccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3C)C(F)(F)F)c(Cl)cc2F
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3COCCOC)F)C(F)(F)F
InChIInChI1.06 InChI=1S/C27H24ClF5N2O4/c1-15-9-18(27(31,32)33)4-6-24(15)35-26(37)20-11-21(23(30)12-22(20)28)25(36)34-13-16-3-5-19(29)10-17(16)14-39-8-7-38-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyInChI1.06 PVTRYMNBUCBYEB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166175741