C132H139Cl2F18N21O19 — CID 157340873
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 157340873) has the molecular formula C132H139Cl2F18N21O19 and a molecular weight of 2736.56 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
| Compound Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157340873 |
| Molecular Formula | C132H139Cl2F18N21O19 |
| Molecular Weight | 2736.56 g/mol |
| Exact Mass | 2733.96 |
| IUPAC Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
| SMILES | CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1.CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.CNC(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 |
| InChI | InChI=1S/C24H28ClF3N4O3.C24H29F3N4O4.C21H22ClF3N4O3.C21H17F3N4O4.C21H20F3N3O2.C21H23F3N2O3/c1-3-32(4-2)22(33)21-14-18(11-12-29-21)35-17-8-5-15(6-9-17)30-23(34)31-16-7-10-20(25)19(13-16)24(26,27)28;1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-25-19(29)18-12-17(10-11-26-18)31-15-6-2-13(3-7-15)27-20(30)28-14-4-8-16(9-5-14)32-21(22,23)24;22-21(23,24)15-3-5-16(6-4-15)26-20(28)27-17-7-11-19(12-8-17)29-18-9-1-14(13-25)2-10-18;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24/h7,10-15,17H,3-6,8-9H2,1-2H3,(H2,30,31,34);7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)(H2,28,29,31);2-12H,1H3,(H,25,29)(H2,27,28,30);1-6,9-10,17,19H,7-8,11-12H2,(H2,26,27,28);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27) |
| InChIKey | BGJLRTQGUTUHHM-UHFFFAOYSA-N |
| XLogP | 30.62 |
| TPSA | 504.02 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2736.56 |
| LogP ≤ 5 | 30.62 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 24 |