Q8F
Summary
| Name: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide |
| Formula: | C27 H24 Cl F5 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 570.935 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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) |
| InChIKey | InChI | 1.06 | PVTRYMNBUCBYEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOCc1cc(F)ccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3C)C(F)(F)F)c(Cl)cc2F |
| SMILES | CACTVS | 3.385 | COCCOCc1cc(F)ccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3C)C(F)(F)F)c(Cl)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3COCCOC)F)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3COCCOC)F)C(F)(F)F |
