2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea

C235H220Cl10F30N60O26S4 — CID 160503472

IUPAC2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea
SMILESCN(C)CCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CN(C)CCNC(=O)c1ccnc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.CN(C)CCNC(=O)c1nccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN(C)CCNC(=O)c1nccc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN(C)CCNC(=O)c1ncnc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN1CCN(C(=O)c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncn2)CC1.CN1CCN(C(=O)c2ccnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)CC1.CN1CCN(C(=O)c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.CN1CCN(C(=O)c2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.CN1CCN(C(=O)c2ncnc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1
InChIInChI=1S/C25H23ClF3N5O3.2C24H22ClF3N6O3.C24H22ClF3N6O2S.C24H23ClF3N5O3.C23H21ClF3N7O2S.2C23H22ClF3N6O3.C23H22ClF3N6O2S.C22H21ClF3N7O2S/c1-33-10-12-34(13-11-33)23(35)16-8-9-30-22(14-16)37-19-5-2-17(3-6-19)31-24(36)32-18-4-7-21(26)20(15-18)25(27,28)29;1-33-8-10-34(11-9-33)22(35)20-13-21(30-14-29-20)37-17-5-2-15(3-6-17)31-23(36)32-16-4-7-19(25)18(12-16)24(26,27)28;2*1-33-10-12-34(13-11-33)22(35)21-29-9-8-20(32-21)37-17-5-2-15(3-6-17)30-23(36)31-16-4-7-19(25)18(14-16)24(26,27)28;1-33(2)11-10-30-22(34)15-8-9-29-21(12-15)36-18-5-3-4-16(13-18)31-23(35)32-17-6-7-20(25)19(14-17)24(26,27)28;1-33-8-10-34(11-9-33)20(35)19-28-13-29-22(32-19)37-16-5-2-14(3-6-16)30-21(36)31-15-4-7-18(24)17(12-15)23(25,26)27;1-33(2)9-8-28-21(34)19-12-20(30-13-29-19)36-16-5-3-4-14(10-16)31-22(35)32-15-6-7-18(24)17(11-15)23(25,26)27;2*1-33(2)11-10-29-21(34)20-28-9-8-19(32-20)36-16-5-3-4-14(12-16)30-22(35)31-15-6-7-18(24)17(13-15)23(25,26)27;1-33(2)9-8-27-19(34)18-28-12-29-21(32-18)36-15-5-3-4-13(10-15)30-20(35)31-14-6-7-17(23)16(11-14)22(24,25)26/h2-9,14-15H,10-13H2,1H3,(H2,31,32,36);2-7,12-14H,8-11H2,1H3,(H2,31,32,36);2*2-9,14H,10-13H2,1H3,(H2,30,31,36);3-9,12-14H,10-11H2,1-2H3,(H,30,34)(H2,31,32,35);2-7,12-13H,8-11H2,1H3,(H2,30,31,36);3-7,10-13H,8-9H2,1-2H3,(H,28,34)(H2,31,32,35);2*3-9,12-13H,10-11H2,1-2H3,(H,29,34)(H2,30,31,35);3-7,10-12H,8-9H2,1-2H3,(H,27,34)(H2,30,31,35)
InChIKeyQSCBDIKZPCJNCA-UHFFFAOYSA-N
MW5353.48 g/mol
LogP50.68
Rot. Bonds65

About 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea

2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea (PubChem CID 160503472) has the molecular formula C235H220Cl10F30N60O26S4 and a molecular weight of 5353.48 g/mol. Its IUPAC name is 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea.

Molecular Properties

Compound Name2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea
PubChem CID160503472
Molecular FormulaC235H220Cl10F30N60O26S4
Molecular Weight5353.48 g/mol
Exact Mass5345.30
IUPAC Name2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea
SMILESCN(C)CCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CN(C)CCNC(=O)c1ccnc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.CN(C)CCNC(=O)c1nccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN(C)CCNC(=O)c1nccc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN(C)CCNC(=O)c1ncnc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN1CCN(C(=O)c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncn2)CC1.CN1CCN(C(=O)c2ccnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)CC1.CN1CCN(C(=O)c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.CN1CCN(C(=O)c2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.CN1CCN(C(=O)c2ncnc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1
InChIInChI=1S/C25H23ClF3N5O3.2C24H22ClF3N6O3.C24H22ClF3N6O2S.C24H23ClF3N5O3.C23H21ClF3N7O2S.2C23H22ClF3N6O3.C23H22ClF3N6O2S.C22H21ClF3N7O2S/c1-33-10-12-34(13-11-33)23(35)16-8-9-30-22(14-16)37-19-5-2-17(3-6-19)31-24(36)32-18-4-7-21(26)20(15-18)25(27,28)29;1-33-8-10-34(11-9-33)22(35)20-13-21(30-14-29-20)37-17-5-2-15(3-6-17)31-23(36)32-16-4-7-19(25)18(12-16)24(26,27)28;2*1-33-10-12-34(13-11-33)22(35)21-29-9-8-20(32-21)37-17-5-2-15(3-6-17)30-23(36)31-16-4-7-19(25)18(14-16)24(26,27)28;1-33(2)11-10-30-22(34)15-8-9-29-21(12-15)36-18-5-3-4-16(13-18)31-23(35)32-17-6-7-20(25)19(14-17)24(26,27)28;1-33-8-10-34(11-9-33)20(35)19-28-13-29-22(32-19)37-16-5-2-14(3-6-16)30-21(36)31-15-4-7-18(24)17(12-15)23(25,26)27;1-33(2)9-8-28-21(34)19-12-20(30-13-29-19)36-16-5-3-4-14(10-16)31-22(35)32-15-6-7-18(24)17(11-15)23(25,26)27;2*1-33(2)11-10-29-21(34)20-28-9-8-19(32-20)36-16-5-3-4-14(12-16)30-22(35)31-15-6-7-18(24)17(13-15)23(25,26)27;1-33(2)9-8-27-19(34)18-28-12-29-21(32-18)36-15-5-3-4-13(10-15)30-20(35)31-14-6-7-17(23)16(11-14)22(24,25)26/h2-9,14-15H,10-13H2,1H3,(H2,31,32,36);2-7,12-14H,8-11H2,1H3,(H2,31,32,36);2*2-9,14H,10-13H2,1H3,(H2,30,31,36);3-9,12-14H,10-11H2,1-2H3,(H,30,34)(H2,31,32,35);2-7,12-13H,8-11H2,1H3,(H2,30,31,36);3-7,10-13H,8-9H2,1-2H3,(H,28,34)(H2,31,32,35);2*3-9,12-13H,10-11H2,1-2H3,(H,29,34)(H2,30,31,35);3-7,10-12H,8-9H2,1-2H3,(H,27,34)(H2,30,31,35)
InChIKeyQSCBDIKZPCJNCA-UHFFFAOYSA-N
XLogP50.68
TPSA1003.93 Ų
H-Bond Donors25
H-Bond Acceptors60
Rotatable Bonds65
Heavy Atoms365
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005353.48
LogP ≤ 550.68
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1060

Analyze 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea?
The IUPAC name of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea (CID 160503472) is 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea.
What is the SMILES notation for 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea?
The canonical SMILES for 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea is CN(C)CCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CN(C)CCNC(=O)c1ccnc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.CN(C)CCNC(=O)c1nccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN(C)CCNC(=O)c1nccc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN(C)CCNC(=O)c1ncnc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.CN1CCN(C(=O)c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncn2)CC1.CN1CCN(C(=O)c2ccnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)CC1.CN1CCN(C(=O)c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.CN1CCN(C(=O)c2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.CN1CCN(C(=O)c2ncnc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)n2)CC1.
What is the InChIKey of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea?
The InChIKey is QSCBDIKZPCJNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N5O3.2C24H22ClF3N6O3.C24H22ClF3N6O2S.C24H23ClF3N5O3.C23H21ClF3N7O2S.2C23H22ClF3N6O3.C23H22ClF3N6O2S.C22H21ClF3N7O2S/c1-33-10-12-34(13-11-33)23(35)16-8-9-30-22(14-16)37-19-5-2-17(3-6-19)31-24(36)32-18-4-7-21(26)20(15-18)25(27,28)29;1-33-8-10-34(11-9-33)22(35)20-13-21(30-14-29-20)37-17-5-2-15(3-6-17)31-23(36)32-16-4-7-19(25)18(12-16)24(26,27)28;2*1-33-10-12-34(13-11-33)22(35)21-29-9-8-20(32-21)37-17-5-2-15(3-6-17)30-23(36)31-16-4-7-19(25)18(14-16)24(26,27)28;1-33(2)11-10-30-22(34)15-8-9-29-21(12-15)36-18-5-3-4-16(13-18)31-23(35)32-17-6-7-20(25)19(14-17)24(26,27)28;1-33-8-10-34(11-9-33)20(35)19-28-13-29-22(32-19)37-16-5-2-14(3-6-16)30-21(36)31-15-4-7-18(24)17(12-15)23(25,26)27;1-33(2)9-8-28-21(34)19-12-20(30-13-29-19)36-16-5-3-4-14(10-16)31-22(35)32-15-6-7-18(24)17(11-15)23(25,26)27;2*1-33(2)11-10-29-21(34)20-28-9-8-19(32-20)36-16-5-3-4-14(12-16)30-22(35)31-15-6-7-18(24)17(13-15)23(25,26)27;1-33(2)9-8-27-19(34)18-28-12-29-21(32-18)36-15-5-3-4-13(10-15)30-20(35)31-14-6-7-17(23)16(11-14)22(24,25)26/h2-9,14-15H,10-13H2,1H3,(H2,31,32,36);2-7,12-14H,8-11H2,1H3,(H2,31,32,36);2*2-9,14H,10-13H2,1H3,(H2,30,31,36);3-9,12-14H,10-11H2,1-2H3,(H,30,34)(H2,31,32,35);2-7,12-13H,8-11H2,1H3,(H2,30,31,36);3-7,10-13H,8-9H2,1-2H3,(H,28,34)(H2,31,32,35);2*3-9,12-13H,10-11H2,1-2H3,(H,29,34)(H2,30,31,35);3-7,10-12H,8-9H2,1-2H3,(H,27,34)(H2,30,31,35).
What are the key properties of 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea?
2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea has a molecular weight of 5353.48 g/mol, XLogP of 50.68, 65 rotatable bonds, 25 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-2-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]oxyphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]urea is sourced from PubChem (CID 160503472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).