4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide

C214H213Cl9F27N55O35S — CID 159302309

IUPAC4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide
SMILESCCN(CC)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCN(CC)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCN(CC)CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCN(CC)CCONC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CN(C)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CN(C)CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C26H27ClF3N5O4.2C25H26ClF3N6O4.C24H25ClF3N7O4.C24H23ClF3N5O4.2C23H22ClF3N6O4.C22H21ClF3N7O4.C22H21ClF3N7O3S/c1-3-35(4-2)13-14-38-34-24(36)23-16-20(11-12-31-23)39-19-8-5-17(6-9-19)32-25(37)33-18-7-10-22(27)21(15-18)26(28,29)30;1-3-35(4-2)11-12-38-34-23(36)21-14-22(31-15-30-21)39-18-8-5-16(6-9-18)32-24(37)33-17-7-10-20(26)19(13-17)25(27,28)29;1-3-35(4-2)13-14-38-34-23(36)22-30-12-11-21(33-22)39-18-8-5-16(6-9-18)31-24(37)32-17-7-10-20(26)19(15-17)25(27,28)29;1-3-35(4-2)11-12-38-34-21(36)20-29-14-30-23(33-20)39-17-8-5-15(6-9-17)31-22(37)32-16-7-10-19(25)18(13-16)24(26,27)28;1-33(2)11-12-36-32-22(34)21-14-18(9-10-29-21)37-17-6-3-15(4-7-17)30-23(35)31-16-5-8-20(25)19(13-16)24(26,27)28;1-33(2)9-10-36-32-21(34)19-12-20(29-13-28-19)37-16-6-3-14(4-7-16)30-22(35)31-15-5-8-18(24)17(11-15)23(25,26)27;1-33(2)11-12-36-32-21(34)20-28-10-9-19(31-20)37-16-6-3-14(4-7-16)29-22(35)30-15-5-8-18(24)17(13-15)23(25,26)27;2*1-33(2)9-10-36-32-19(34)18-27-12-28-21(31-18)37-15-6-3-13(4-7-15)29-20(35)30-14-5-8-17(23)16(11-14)22(24,25)26/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,34,36)(H2,32,33,37);5-10,13-15H,3-4,11-12H2,1-2H3,(H,34,36)(H2,32,33,37);5-12,15H,3-4,13-14H2,1-2H3,(H,34,36)(H2,31,32,37);5-10,13-14H,3-4,11-12H2,1-2H3,(H,34,36)(H2,31,32,37);3-10,13-14H,11-12H2,1-2H3,(H,32,34)(H2,30,31,35);3-8,11-13H,9-10H2,1-2H3,(H,32,34)(H2,30,31,35);3-10,13H,11-12H2,1-2H3,(H,32,34)(H2,29,30,35);2*3-8,11-12H,9-10H2,1-2H3,(H,32,34)(H2,29,30,35)
InChIKeyLBMIMBZYARXKKU-UHFFFAOYSA-N
MW4979.50 g/mol
LogP46.15
Rot. Bonds89

About 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 159302309) has the molecular formula C214H213Cl9F27N55O35S and a molecular weight of 4979.50 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide
PubChem CID159302309
Molecular FormulaC214H213Cl9F27N55O35S
Molecular Weight4979.50 g/mol
Exact Mass4972.31
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide
SMILESCCN(CC)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCN(CC)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCN(CC)CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCN(CC)CCONC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CN(C)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CN(C)CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C26H27ClF3N5O4.2C25H26ClF3N6O4.C24H25ClF3N7O4.C24H23ClF3N5O4.2C23H22ClF3N6O4.C22H21ClF3N7O4.C22H21ClF3N7O3S/c1-3-35(4-2)13-14-38-34-24(36)23-16-20(11-12-31-23)39-19-8-5-17(6-9-19)32-25(37)33-18-7-10-22(27)21(15-18)26(28,29)30;1-3-35(4-2)11-12-38-34-23(36)21-14-22(31-15-30-21)39-18-8-5-16(6-9-18)32-24(37)33-17-7-10-20(26)19(13-17)25(27,28)29;1-3-35(4-2)13-14-38-34-23(36)22-30-12-11-21(33-22)39-18-8-5-16(6-9-18)31-24(37)32-17-7-10-20(26)19(15-17)25(27,28)29;1-3-35(4-2)11-12-38-34-21(36)20-29-14-30-23(33-20)39-17-8-5-15(6-9-17)31-22(37)32-16-7-10-19(25)18(13-16)24(26,27)28;1-33(2)11-12-36-32-22(34)21-14-18(9-10-29-21)37-17-6-3-15(4-7-17)30-23(35)31-16-5-8-20(25)19(13-16)24(26,27)28;1-33(2)9-10-36-32-21(34)19-12-20(29-13-28-19)37-16-6-3-14(4-7-16)30-22(35)31-15-5-8-18(24)17(11-15)23(25,26)27;1-33(2)11-12-36-32-21(34)20-28-10-9-19(31-20)37-16-6-3-14(4-7-16)29-22(35)30-15-5-8-18(24)17(13-15)23(25,26)27;2*1-33(2)9-10-36-32-19(34)18-27-12-28-21(31-18)37-15-6-3-13(4-7-15)29-20(35)30-14-5-8-17(23)16(11-14)22(24,25)26/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,34,36)(H2,32,33,37);5-10,13-15H,3-4,11-12H2,1-2H3,(H,34,36)(H2,32,33,37);5-12,15H,3-4,13-14H2,1-2H3,(H,34,36)(H2,31,32,37);5-10,13-14H,3-4,11-12H2,1-2H3,(H,34,36)(H2,31,32,37);3-10,13-14H,11-12H2,1-2H3,(H,32,34)(H2,30,31,35);3-8,11-13H,9-10H2,1-2H3,(H,32,34)(H2,30,31,35);3-10,13H,11-12H2,1-2H3,(H,32,34)(H2,29,30,35);2*3-8,11-12H,9-10H2,1-2H3,(H,32,34)(H2,29,30,35)
InChIKeyLBMIMBZYARXKKU-UHFFFAOYSA-N
XLogP46.15
TPSA1063.05 Ų
H-Bond Donors27
H-Bond Acceptors64
Rotatable Bonds89
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004979.50
LogP ≤ 546.15
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1064

Analyze 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide (CID 159302309) is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide is CCN(CC)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCN(CC)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCN(CC)CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCN(CC)CCONC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CN(C)CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CN(C)CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CN(C)CCONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.
What is the InChIKey of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide?
The InChIKey is LBMIMBZYARXKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF3N5O4.2C25H26ClF3N6O4.C24H25ClF3N7O4.C24H23ClF3N5O4.2C23H22ClF3N6O4.C22H21ClF3N7O4.C22H21ClF3N7O3S/c1-3-35(4-2)13-14-38-34-24(36)23-16-20(11-12-31-23)39-19-8-5-17(6-9-19)32-25(37)33-18-7-10-22(27)21(15-18)26(28,29)30;1-3-35(4-2)11-12-38-34-23(36)21-14-22(31-15-30-21)39-18-8-5-16(6-9-18)32-24(37)33-17-7-10-20(26)19(13-17)25(27,28)29;1-3-35(4-2)13-14-38-34-23(36)22-30-12-11-21(33-22)39-18-8-5-16(6-9-18)31-24(37)32-17-7-10-20(26)19(15-17)25(27,28)29;1-3-35(4-2)11-12-38-34-21(36)20-29-14-30-23(33-20)39-17-8-5-15(6-9-17)31-22(37)32-16-7-10-19(25)18(13-16)24(26,27)28;1-33(2)11-12-36-32-22(34)21-14-18(9-10-29-21)37-17-6-3-15(4-7-17)30-23(35)31-16-5-8-20(25)19(13-16)24(26,27)28;1-33(2)9-10-36-32-21(34)19-12-20(29-13-28-19)37-16-6-3-14(4-7-16)30-22(35)31-15-5-8-18(24)17(11-15)23(25,26)27;1-33(2)11-12-36-32-21(34)20-28-10-9-19(31-20)37-16-6-3-14(4-7-16)29-22(35)30-15-5-8-18(24)17(13-15)23(25,26)27;2*1-33(2)9-10-36-32-19(34)18-27-12-28-21(31-18)37-15-6-3-13(4-7-15)29-20(35)30-14-5-8-17(23)16(11-14)22(24,25)26/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,34,36)(H2,32,33,37);5-10,13-15H,3-4,11-12H2,1-2H3,(H,34,36)(H2,32,33,37);5-12,15H,3-4,13-14H2,1-2H3,(H,34,36)(H2,31,32,37);5-10,13-14H,3-4,11-12H2,1-2H3,(H,34,36)(H2,31,32,37);3-10,13-14H,11-12H2,1-2H3,(H,32,34)(H2,30,31,35);3-8,11-13H,9-10H2,1-2H3,(H,32,34)(H2,30,31,35);3-10,13H,11-12H2,1-2H3,(H,32,34)(H2,29,30,35);2*3-8,11-12H,9-10H2,1-2H3,(H,32,34)(H2,29,30,35).
What are the key properties of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide?
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide has a molecular weight of 4979.50 g/mol, XLogP of 46.15, 89 rotatable bonds, 27 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(diethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]pyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethoxy]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 159302309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).