Q4O
~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
| Created: | 2022-10-13 |
| Last modified: | 2022-12-28 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 51 |
| Chiral Atom Count | 0 |
| Bond Count | 53 |
| Aromatic Bond Count | 18 |
Chemical Component Summary | |
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| Name | ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide |
| Systematic Name (OpenEye OEToolkits) | ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide |
| Formula | C23 H17 Cl F4 N2 O4 |
| Molecular Weight | 496.839 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c(Cl)cc2F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(c(c3)F)OC(F)F |
| Canonical SMILES | CACTVS | 3.385 | COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c(Cl)cc2F |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(c(c3)F)OC(F)F |
| InChI | InChI | 1.06 | InChI=1S/C23H17ClF4N2O4/c1-33-19-5-3-2-4-12(19)11-29-21(31)15-9-14(16(24)10-17(15)25)22(32)30-13-6-7-20(18(26)8-13)34-23(27)28/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32) |
| InChIKey | InChI | 1.06 | OUEDXGFIUVZQDC-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 166175738 |
