C214H237Cl4F8N25O19 — CID 158534986
N-[3,3-bis(4-fluorophenyl)propyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;bis(N-[(2,4-dichlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide);N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(2S)-2-phenylpropyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 158534986) has the molecular formula C214H237Cl4F8N25O19 and a molecular weight of 3757.20 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;bis(N-[(2,4-dichlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide);N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(2S)-2-phenylpropyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide.
| Compound Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;bis(N-[(2,4-dichlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide);N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(2S)-2-phenylpropyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide |
|---|---|
| PubChem CID | 158534986 |
| Molecular Formula | C214H237Cl4F8N25O19 |
| Molecular Weight | 3757.20 g/mol |
| Exact Mass | 3752.70 |
| IUPAC Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;bis(N-[(2,4-dichlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide);N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(2S)-2-phenylpropyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide |
| SMILES | COc1ccc(CC2CCN(C(=O)NCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCCc3ccc(-c4ccccc4)cc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NC[C@@H](C)c3ccccc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3cccc4ccccc34)C2)cc1.COc1ccc(CCNC(=O)N2CCC(c3cccnc3)C2)cc1.O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(c2cccnc2)C1.O=C(NCc1ccc2c(c1)CCO2)N1CCC(c2cccnc2)C1.O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(c2cccnc2)C1 |
| InChI | InChI=1S/C28H30F2N2O2.C27H30N2O2.C24H26N2O2.C22H28N2O2.2C20H22Cl2N2O2.C19H21N3O2.C19H23N3O2.C18H18F3N3O2.C17H17F3N4O/c1-34-26-12-2-20(3-13-26)18-21-15-17-32(19-21)28(33)31-16-14-27(22-4-8-24(29)9-5-22)23-6-10-25(30)11-7-23;1-31-26-13-9-22(10-14-26)19-23-16-18-29(20-23)27(30)28-17-15-21-7-11-25(12-8-21)24-5-3-2-4-6-24;1-28-22-11-9-18(10-12-22)15-19-13-14-26(17-19)24(27)25-16-21-7-4-6-20-5-2-3-8-23(20)21;1-17(20-6-4-3-5-7-20)15-23-22(25)24-13-12-19(16-24)14-18-8-10-21(26-2)11-9-18;2*1-26-18-6-2-14(3-7-18)10-15-8-9-24(13-15)20(25)23-12-16-4-5-17(21)11-19(16)22;23-19(21-11-14-3-4-18-15(10-14)6-9-24-18)22-8-5-17(13-22)16-2-1-7-20-12-16;1-24-18-6-4-15(5-7-18)8-11-21-19(23)22-12-9-17(14-22)16-3-2-10-20-13-16;19-18(20,21)26-16-5-1-3-13(9-16)10-23-17(25)24-8-6-15(12-24)14-4-2-7-22-11-14;18-17(19,20)15-4-3-12(8-22-15)9-23-16(25)24-7-5-14(11-24)13-2-1-6-21-10-13/h2-13,21,27H,14-19H2,1H3,(H,31,33);2-14,23H,15-20H2,1H3,(H,28,30);2-12,19H,13-17H2,1H3,(H,25,27);3-11,17,19H,12-16H2,1-2H3,(H,23,25);2*2-7,11,15H,8-10,12-13H2,1H3,(H,23,25);1-4,7,10,12,17H,5-6,8-9,11,13H2,(H,21,23);2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,21,23);1-5,7,9,11,15H,6,8,10,12H2,(H,23,25);1-4,6,8,10,14H,5,7,9,11H2,(H,23,25)/t;;;17-,19?;;;;;;/m...1....../s1 |
| InChIKey | HNVHIHOBNRJLKO-BJEJKIJHSA-N |
| XLogP | 41.62 |
| TPSA | 470.92 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 270 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3757.20 |
| LogP ≤ 5 | 41.62 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 24 |