C107H134ClF5N18O11S — CID 162101262
N-[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide;N-[1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 162101262) has the molecular formula C107H134ClF5N18O11S and a molecular weight of 2010.87 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide;N-[1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide.
| Compound Name | N-[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide;N-[1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide |
|---|---|
| PubChem CID | 162101262 |
| Molecular Formula | C107H134ClF5N18O11S |
| Molecular Weight | 2010.87 g/mol |
| Exact Mass | 2008.98 |
| IUPAC Name | N-[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide;N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide;N-[1-(2-hydroxyethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;N-[1-methyl-2-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide |
| SMILES | CCC(C(=O)NC1CCN(C)C1c1ccc(C)cc1)N1CCCC1=O.CN1CCC(NC(=O)Cc2cccnc2)C1c1ccc(Cl)c(F)c1.CN1CCC(NC(=O)Cc2cccs2)C1c1ccc(F)c(F)c1.CN1CCC(NC(=O)Cc2ccon2)C1c1ccc(F)c(F)c1.Cc1ccc(C2C(NC(=O)Cc3cc(C)[nH]n3)CCN2C)cc1.Cc1ccc(C2CN(CCO)CC2NC(=O)CN2CCCCC2=O)o1 |
| InChI | InChI=1S/C20H29N3O2.C18H19ClFN3O.C18H24N4O.C18H27N3O4.C17H18F2N2OS.C16H17F2N3O2/c1-4-17(23-12-5-6-18(23)24)20(25)21-16-11-13-22(3)19(16)15-9-7-14(2)8-10-15;1-23-8-6-16(18(23)13-4-5-14(19)15(20)10-13)22-17(24)9-12-3-2-7-21-11-12;1-12-4-6-14(7-5-12)18-16(8-9-22(18)3)19-17(23)11-15-10-13(2)20-21-15;1-13-5-6-16(25-13)14-10-20(8-9-22)11-15(14)19-17(23)12-21-7-3-2-4-18(21)24;1-21-7-6-15(20-16(22)10-12-3-2-8-23-12)17(21)11-4-5-13(18)14(19)9-11;1-21-6-4-14(19-15(22)9-11-5-7-23-20-11)16(21)10-2-3-12(17)13(18)8-10/h7-10,16-17,19H,4-6,11-13H2,1-3H3,(H,21,25);2-5,7,10-11,16,18H,6,8-9H2,1H3,(H,22,24);4-7,10,16,18H,8-9,11H2,1-3H3,(H,19,23)(H,20,21);5-6,14-15,22H,2-4,7-12H2,1H3,(H,19,23);2-5,8-9,15,17H,6-7,10H2,1H3,(H,20,22);2-3,5,7-8,14,16H,4,6,9H2,1H3,(H,19,22) |
| InChIKey | ZEXJEFOVLJGZJK-UHFFFAOYSA-N |
| XLogP | 13.03 |
| TPSA | 335.63 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 143 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2010.87 |
| LogP ≤ 5 | 13.03 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 21 |