C118H110Cl5F4N13O18 — CID 159288564
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-4-oxoquinazolin-7-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-3-phenylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1,3-benzoxazole-6-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 159288564) has the molecular formula C118H110Cl5F4N13O18 and a molecular weight of 2251.51 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-4-oxoquinazolin-7-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-3-phenylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1,3-benzoxazole-6-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-oxazole-5-carboxamide.
| Compound Name | 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-4-oxoquinazolin-7-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-3-phenylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1,3-benzoxazole-6-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-oxazole-5-carboxamide |
|---|---|
| PubChem CID | 159288564 |
| Molecular Formula | C118H110Cl5F4N13O18 |
| Molecular Weight | 2251.51 g/mol |
| Exact Mass | 2247.65 |
| IUPAC Name | 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3-methyl-4-oxoquinazolin-7-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-3-phenylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1,3-benzoxazole-6-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-(1-propylpyrazol-3-yl)ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-oxazole-5-carboxamide |
| SMILES | CCCn1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cnc(-c5ccccc5)o4)(C2)C3)ccc1Cl.Cc1nc2ccc(C(=O)NC34CC(CC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)cc2o1.Cn1cnc2cc(C(=O)CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)ccc2c1=O.Cn1nc(-c2ccccc2)cc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2 |
| InChI | InChI=1S/C25H23ClFN3O3.C25H23ClN2O4.C24H21ClFN3O4.C23H20ClFN2O4.C21H23ClFN3O3/c1-30-21(10-20(29-30)16-5-3-2-4-6-16)22(31)11-24-13-25(14-24,15-24)28-23(32)12-33-17-7-8-18(26)19(27)9-17;1-16-9-19(7-8-20(16)26)31-12-18(29)10-24-13-25(14-24,15-24)28-22(30)21-11-27-23(32-21)17-5-3-2-4-6-17;1-29-13-27-19-6-14(2-4-16(19)22(29)32)20(30)8-23-10-24(11-23,12-23)28-21(31)9-33-15-3-5-17(25)18(26)7-15;1-13-26-19-5-2-14(6-20(19)31-13)21(29)27-23-10-22(11-23,12-23)8-15(28)9-30-16-3-4-17(24)18(25)7-16;1-2-6-26-7-5-17(25-26)18(27)9-20-11-21(12-20,13-20)24-19(28)10-29-14-3-4-15(22)16(23)8-14/h2-10H,11-15H2,1H3,(H,28,32);2-9,11H,10,12-15H2,1H3,(H,28,30);2-7,13H,8-12H2,1H3,(H,28,31);2-7H,8-12H2,1H3,(H,27,29);3-5,7-8H,2,6,9-13H2,1H3,(H,24,28) |
| InChIKey | KZUYVPCTWBIHLK-UHFFFAOYSA-N |
| XLogP | 21.38 |
| TPSA | 399.59 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2251.51 |
| LogP ≤ 5 | 21.38 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 26 |