C109H114Cl5F11N14O18S — CID 158527433
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-ethyl-1,2,4-oxadiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethyl)furan-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methoxymethyl)-3-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158527433) has the molecular formula C109H114Cl5F11N14O18S and a molecular weight of 2326.50 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-ethyl-1,2,4-oxadiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethyl)furan-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methoxymethyl)-3-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
| Compound Name | N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-ethyl-1,2,4-oxadiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethyl)furan-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methoxymethyl)-3-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide |
|---|---|
| PubChem CID | 158527433 |
| Molecular Formula | C109H114Cl5F11N14O18S |
| Molecular Weight | 2326.50 g/mol |
| Exact Mass | 2322.64 |
| IUPAC Name | N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-ethyl-1,2,4-oxadiazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-(trifluoromethyl)furan-3-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[5-(methoxymethyl)-3-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide |
| SMILES | CC1CC2(NC(=O)c3cc(C(F)(F)F)n(C)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3coc(C(F)(F)F)c3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CCc1noc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)n1.COCc1cncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)sn1 |
| InChI | InChI=1S/C23H25ClF4N4O3.C23H23ClF4N2O4.C22H26ClFN4O4.C22H22ClFN2O4.C19H18ClFN2O3S/c1-13-11-21(30-20(34)17-10-18(23(26,27)28)32(2)31-17)5-7-22(13,8-6-21)29-19(33)12-35-14-3-4-15(24)16(25)9-14;1-13-10-21(30-20(32)14-8-18(34-11-14)23(26,27)28)4-6-22(13,7-5-21)29-19(31)12-33-15-2-3-16(24)17(25)9-15;1-3-17-25-20(32-28-17)19(30)27-21-6-8-22(9-7-21,13(2)11-21)26-18(29)12-31-14-4-5-15(23)16(24)10-14;1-29-9-14-4-15(8-25-7-14)19(27)6-21-11-22(12-21,13-21)26-20(28)10-30-16-2-3-17(23)18(24)5-16;1-11-4-16(27-23-11)15(24)6-18-8-19(9-18,10-18)22-17(25)7-26-12-2-3-13(20)14(21)5-12/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,29,33)(H,30,34);2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,29,31)(H,30,32);4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,26,29)(H,27,30);2-5,7-8H,6,9-13H2,1H3,(H,26,28);2-5H,6-10H2,1H3,(H,22,25) |
| InChIKey | HMYLYXLCILVPAQ-UHFFFAOYSA-N |
| XLogP | 20.44 |
| TPSA | 417.98 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2326.50 |
| LogP ≤ 5 | 20.44 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |