C140H88F28N16O14 — CID 158445894
2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide (PubChem CID 158445894) has the molecular formula C140H88F28N16O14 and a molecular weight of 2750.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide.
| Compound Name | 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide |
|---|---|
| PubChem CID | 158445894 |
| Molecular Formula | C140H88F28N16O14 |
| Molecular Weight | 2750.29 g/mol |
| Exact Mass | 2748.62 |
| IUPAC Name | 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide;bis(2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide);2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide |
| SMILES | CC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.CC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1.Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F.O=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F |
| InChI | InChI=1S/C22H15F3N2O2.2C21H11F5N2O2.C21H12F4N2O2.C20H10F5N3O2.C18H15F3N2O2.C17H14F3N3O2/c1-13-6-2-3-7-15(13)21(28)27-18-11-10-14(12-26-18)19-16-8-4-5-9-17(16)29-20(19)22(23,24)25;2*22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26;22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25;21-11-5-3-6-12(22)17(11)19(29)28-15-9-26-13(8-27-15)16-10-4-1-2-7-14(10)30-18(16)20(23,24)25;1-10(2)17(24)23-14-8-7-11(9-22-14)15-12-5-3-4-6-13(12)25-16(15)18(19,20)21;1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h2-12H,1H3,(H,26,27,28);2*1-10H,(H,27,28,29);1-11H,(H,26,27,28);1-9H,(H,27,28,29);3-10H,1-2H3,(H,22,23,24);3-9H,1-2H3,(H,22,23,24) |
| InChIKey | HDJSWZRYRFOEJX-UHFFFAOYSA-N |
| XLogP | 39.12 |
| TPSA | 411.69 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2750.29 |
| LogP ≤ 5 | 39.12 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |