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

C217H184Cl10F30N54O29S4 — CID 158243705

IUPAC4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea
SMILESCN(C)CCNC(=O)c1cc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CN(C)CCNC(=O)c1ccnc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.CN1CCN(C(=O)c2cc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncn2)CC1.CN1CCN(C(=O)c2ccnc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)CC1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O=C(Nc1cccc(Oc2cc(C(=O)NCCO)ncn2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1cccc(Oc2ccnc(C(=O)NCCO)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1cccc(Oc2ncnc(C(=O)NCCO)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H23ClF3N5O2S.C24H22ClF3N6O2S.C24H23ClF3N5O2S.C23H22ClF3N6O2S.2C21H17ClF3N5O4.C20H16ClF3N6O4.2C20H15ClF3N5O3.C19H14ClF3N6O3/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;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(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;22-16-5-4-13(9-15(16)21(23,24)25)30-20(33)29-12-2-1-3-14(8-12)34-18-10-17(27-11-28-18)19(32)26-6-7-31;22-16-5-4-13(11-15(16)21(23,24)25)29-20(33)28-12-2-1-3-14(10-12)34-17-6-7-26-18(30-17)19(32)27-8-9-31;21-15-5-4-12(9-14(15)20(22,23)24)29-18(33)28-11-2-1-3-13(8-11)34-19-27-10-26-16(30-19)17(32)25-6-7-31;1-25-18(30)16-9-17(27-10-26-16)32-13-5-2-11(3-6-13)28-19(31)29-12-4-7-15(21)14(8-12)20(22,23)24;1-25-18(30)17-26-9-8-16(29-17)32-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(21)14(10-12)20(22,23)24;1-24-16(30)15-25-9-26-18(29-15)32-12-5-2-10(3-6-12)27-17(31)28-11-4-7-14(20)13(8-11)19(21,22)23/h2-9,14-15H,10-13H2,1H3,(H2,31,32,36);2-7,12-14H,8-11H2,1H3,(H2,31,32,36);3-9,12-14H,10-11H2,1-2H3,(H,30,34)(H2,31,32,35);3-7,10-13H,8-9H2,1-2H3,(H,28,34)(H2,31,32,35);1-5,8-11,31H,6-7H2,(H,26,32)(H2,29,30,33);1-7,10-11,31H,8-9H2,(H,27,32)(H2,28,29,33);1-5,8-10,31H,6-7H2,(H,25,32)(H2,28,29,33);2-10H,1H3,(H,25,30)(H2,28,29,31);2-10H,1H3,(H,25,30)(H2,27,28,31);2-9H,1H3,(H,24,30)(H2,27,28,31)
InChIKeyGFWCQCBKEODZLM-UHFFFAOYSA-N
MW5064.95 g/mol
LogP48.89
Rot. Bonds62

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

4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea (PubChem CID 158243705) has the molecular formula C217H184Cl10F30N54O29S4 and a molecular weight of 5064.95 g/mol. Its IUPAC name is 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea.

Molecular Properties

Compound Name4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea
PubChem CID158243705
Molecular FormulaC217H184Cl10F30N54O29S4
Molecular Weight5064.95 g/mol
Exact Mass5056.99
IUPAC Name4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea
SMILESCN(C)CCNC(=O)c1cc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CN(C)CCNC(=O)c1ccnc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.CN1CCN(C(=O)c2cc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncn2)CC1.CN1CCN(C(=O)c2ccnc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)CC1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O=C(Nc1cccc(Oc2cc(C(=O)NCCO)ncn2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1cccc(Oc2ccnc(C(=O)NCCO)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1cccc(Oc2ncnc(C(=O)NCCO)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H23ClF3N5O2S.C24H22ClF3N6O2S.C24H23ClF3N5O2S.C23H22ClF3N6O2S.2C21H17ClF3N5O4.C20H16ClF3N6O4.2C20H15ClF3N5O3.C19H14ClF3N6O3/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;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(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;22-16-5-4-13(9-15(16)21(23,24)25)30-20(33)29-12-2-1-3-14(8-12)34-18-10-17(27-11-28-18)19(32)26-6-7-31;22-16-5-4-13(11-15(16)21(23,24)25)29-20(33)28-12-2-1-3-14(10-12)34-17-6-7-26-18(30-17)19(32)27-8-9-31;21-15-5-4-12(9-14(15)20(22,23)24)29-18(33)28-11-2-1-3-13(8-11)34-19-27-10-26-16(30-19)17(32)25-6-7-31;1-25-18(30)16-9-17(27-10-26-16)32-13-5-2-11(3-6-13)28-19(31)29-12-4-7-15(21)14(8-12)20(22,23)24;1-25-18(30)17-26-9-8-16(29-17)32-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(21)14(10-12)20(22,23)24;1-24-16(30)15-25-9-26-18(29-15)32-12-5-2-10(3-6-12)27-17(31)28-11-4-7-14(20)13(8-11)19(21,22)23/h2-9,14-15H,10-13H2,1H3,(H2,31,32,36);2-7,12-14H,8-11H2,1H3,(H2,31,32,36);3-9,12-14H,10-11H2,1-2H3,(H,30,34)(H2,31,32,35);3-7,10-13H,8-9H2,1-2H3,(H,28,34)(H2,31,32,35);1-5,8-11,31H,6-7H2,(H,26,32)(H2,29,30,33);1-7,10-11,31H,8-9H2,(H,27,32)(H2,28,29,33);1-5,8-10,31H,6-7H2,(H,25,32)(H2,28,29,33);2-10H,1H3,(H,25,30)(H2,28,29,31);2-10H,1H3,(H,25,30)(H2,27,28,31);2-9H,1H3,(H,24,30)(H2,27,28,31)
InChIKeyGFWCQCBKEODZLM-UHFFFAOYSA-N
XLogP48.89
TPSA1071.55 Ų
H-Bond Donors31
H-Bond Acceptors57
Rotatable Bonds62
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005064.95
LogP ≤ 548.89
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1057

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea?
The IUPAC name of 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea (CID 158243705) is 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea.
What is the SMILES notation for 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea?
The canonical SMILES for 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea is CN(C)CCNC(=O)c1cc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CN(C)CCNC(=O)c1ccnc(Sc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)c1.CN1CCN(C(=O)c2cc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ncn2)CC1.CN1CCN(C(=O)c2ccnc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)CC1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1ncnc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O=C(Nc1cccc(Oc2cc(C(=O)NCCO)ncn2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1cccc(Oc2ccnc(C(=O)NCCO)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1cccc(Oc2ncnc(C(=O)NCCO)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea?
The InChIKey is GFWCQCBKEODZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N5O2S.C24H22ClF3N6O2S.C24H23ClF3N5O2S.C23H22ClF3N6O2S.2C21H17ClF3N5O4.C20H16ClF3N6O4.2C20H15ClF3N5O3.C19H14ClF3N6O3/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;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(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;22-16-5-4-13(9-15(16)21(23,24)25)30-20(33)29-12-2-1-3-14(8-12)34-18-10-17(27-11-28-18)19(32)26-6-7-31;22-16-5-4-13(11-15(16)21(23,24)25)29-20(33)28-12-2-1-3-14(10-12)34-17-6-7-26-18(30-17)19(32)27-8-9-31;21-15-5-4-12(9-14(15)20(22,23)24)29-18(33)28-11-2-1-3-13(8-11)34-19-27-10-26-16(30-19)17(32)25-6-7-31;1-25-18(30)16-9-17(27-10-26-16)32-13-5-2-11(3-6-13)28-19(31)29-12-4-7-15(21)14(8-12)20(22,23)24;1-25-18(30)17-26-9-8-16(29-17)32-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(21)14(10-12)20(22,23)24;1-24-16(30)15-25-9-26-18(29-15)32-12-5-2-10(3-6-12)27-17(31)28-11-4-7-14(20)13(8-11)19(21,22)23/h2-9,14-15H,10-13H2,1H3,(H2,31,32,36);2-7,12-14H,8-11H2,1H3,(H2,31,32,36);3-9,12-14H,10-11H2,1-2H3,(H,30,34)(H2,31,32,35);3-7,10-13H,8-9H2,1-2H3,(H,28,34)(H2,31,32,35);1-5,8-11,31H,6-7H2,(H,26,32)(H2,29,30,33);1-7,10-11,31H,8-9H2,(H,27,32)(H2,28,29,33);1-5,8-10,31H,6-7H2,(H,25,32)(H2,28,29,33);2-10H,1H3,(H,25,30)(H2,28,29,31);2-10H,1H3,(H,25,30)(H2,27,28,31);2-9H,1H3,(H,24,30)(H2,27,28,31).
What are the key properties of 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea?
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea has a molecular weight of 5064.95 g/mol, XLogP of 48.89, 62 rotatable bonds, 31 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(2-hydroxyethyl)-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]sulfanyl]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]sulfanylphenyl]urea is sourced from PubChem (CID 158243705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).