C220H284Cl2F4N18O14 — CID 158647895
N-[(4-benzamidophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;2-chloro-5-fluoro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;3-chloro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]benzamide;4-methyl-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide (PubChem CID 158647895) has the molecular formula C220H284Cl2F4N18O14 and a molecular weight of 3551.70 g/mol. Its IUPAC name is N-[(4-benzamidophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;2-chloro-5-fluoro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;3-chloro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]benzamide;4-methyl-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide.
| Compound Name | N-[(4-benzamidophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;2-chloro-5-fluoro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;3-chloro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]benzamide;4-methyl-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide |
|---|---|
| PubChem CID | 158647895 |
| Molecular Formula | C220H284Cl2F4N18O14 |
| Molecular Weight | 3551.70 g/mol |
| Exact Mass | 3548.14 |
| IUPAC Name | N-[(4-benzamidophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;2-chloro-5-fluoro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;3-chloro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]benzamide;4-methyl-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide |
| SMILES | CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)C2CCN(CCC(C)C)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3ccc(C)cc3)cc2)C2CCN(CCC(C)C)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)C2CCN(CCC(C)C)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)C2CCN(CCC(C)C)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)C2CCN(CCC(C)C)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(NC(=O)c3ccccc3OCC)cc2)C2CCN(CCC(C)C)CC2)cc1 |
| InChI | InChI=1S/C38H51N3O3.C37H46F3N3O3.C37H49N3O2.C36H45ClFN3O2.C36H46ClN3O2.C36H47N3O2/c1-5-7-8-11-30-14-18-32(19-15-30)38(43)41(34-23-26-40(27-24-34)25-22-29(3)4)28-31-16-20-33(21-17-31)39-37(42)35-12-9-10-13-36(35)44-6-2;1-4-5-6-7-28-8-12-31(13-9-28)36(45)43(33-21-24-42(25-22-33)23-20-27(2)3)26-29-10-16-32(17-11-29)41-35(44)30-14-18-34(19-15-30)46-37(38,39)40;1-5-6-7-8-30-11-17-33(18-12-30)37(42)40(35-22-25-39(26-23-35)24-21-28(2)3)27-31-13-19-34(20-14-31)38-36(41)32-15-9-29(4)10-16-32;1-4-5-6-7-27-8-12-29(13-9-27)36(43)41(32-19-22-40(23-20-32)21-18-26(2)3)25-28-10-15-31(16-11-28)39-35(42)33-24-30(38)14-17-34(33)37;1-4-5-6-8-28-11-15-30(16-12-28)36(42)40(34-20-23-39(24-21-34)22-19-27(2)3)26-29-13-17-33(18-14-29)38-35(41)31-9-7-10-32(37)25-31;1-4-5-7-10-29-13-17-32(18-14-29)36(41)39(34-22-25-38(26-23-34)24-21-28(2)3)27-30-15-19-33(20-16-30)37-35(40)31-11-8-6-9-12-31/h9-10,12-21,29,34H,5-8,11,22-28H2,1-4H3,(H,39,42);8-19,27,33H,4-7,20-26H2,1-3H3,(H,41,44);9-20,28,35H,5-8,21-27H2,1-4H3,(H,38,41);8-17,24,26,32H,4-7,18-23,25H2,1-3H3,(H,39,42);7,9-18,25,27,34H,4-6,8,19-24,26H2,1-3H3,(H,38,41);6,8-9,11-20,28,34H,4-5,7,10,21-27H2,1-3H3,(H,37,40) |
| InChIKey | IBESEPXZDKZYKC-UHFFFAOYSA-N |
| XLogP | 50.00 |
| TPSA | 334.36 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 258 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3551.70 |
| LogP ≤ 5 | 50.00 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|