Q5X

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

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

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count58
Aromatic Bond Count18
2D diagram of Q5X
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Chemical Component Summary

Name4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
Systematic Name (OpenEye OEToolkits)4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
FormulaC25 H21 Cl F2 N2 O4
Molecular Weight486.895
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(cc3F)C4COC4
Canonical SMILESCACTVS3.385 COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F
Canonical SMILESOpenEye OEToolkits3.1.0.0 COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(cc3F)C4COC4
InChIInChI1.06 InChI=1S/C25H21ClF2N2O4/c1-33-23-5-3-2-4-15(23)11-29-24(31)18-9-17(19(26)10-20(18)27)25(32)30-22-7-6-14(8-21(22)28)16-12-34-13-16/h2-10,16H,11-13H2,1H3,(H,29,31)(H,30,32)
InChIKeyInChI1.06 IPAHVQOPXIBVGE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166175740