4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide

C181H137Cl9F27N45O33S3 — CID 160738157

IUPAC4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide
SMILESCCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCONC(=O)c1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O=C(Nc1ccc(Oc2cc(C(=O)NO)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C(=O)NO)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C(=O)NO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc(C(=O)NO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H18ClF3N4O4.C21H17ClF3N5O4.2C21H17ClF3N5O3S.C20H16ClF3N6O3S.C20H14ClF3N4O4.2C19H13ClF3N5O4.C18H12ClF3N6O4/c1-2-33-30-20(31)19-12-16(9-10-27-19)34-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26;1-2-33-30-19(31)18-26-10-9-17(29-18)34-14-6-3-12(4-7-14)27-20(32)28-13-5-8-16(22)15(11-13)21(23,24)25;1-2-33-30-19(31)17-10-18(27-11-26-17)34-14-6-3-12(4-7-14)28-20(32)29-13-5-8-16(22)15(9-13)21(23,24)25;1-2-33-30-19(31)18-26-10-9-17(29-18)34-14-6-3-12(4-7-14)27-20(32)28-13-5-8-16(22)15(11-13)21(23,24)25;1-2-33-30-17(31)16-25-10-26-19(29-16)34-13-6-3-11(4-7-13)27-18(32)28-12-5-8-15(21)14(9-12)20(22,23)24;21-16-6-3-12(9-15(16)20(22,23)24)27-19(30)26-11-1-4-13(5-2-11)32-14-7-8-25-17(10-14)18(29)28-31;20-14-6-3-11(7-13(14)19(21,22)23)27-18(30)26-10-1-4-12(5-2-10)32-16-8-15(17(29)28-31)24-9-25-16;20-14-6-3-11(9-13(14)19(21,22)23)26-18(30)25-10-1-4-12(5-2-10)32-15-7-8-24-16(27-15)17(29)28-31;19-13-6-3-10(7-12(13)18(20,21)22)26-16(30)25-9-1-4-11(5-2-9)32-17-24-8-23-14(27-17)15(29)28-31/h3-12H,2H2,1H3,(H,30,31)(H2,28,29,32);3-11H,2H2,1H3,(H,30,31)(H2,27,28,32);3-11H,2H2,1H3,(H,30,31)(H2,28,29,32);3-11H,2H2,1H3,(H,30,31)(H2,27,28,32);3-10H,2H2,1H3,(H,30,31)(H2,27,28,32);1-10,31H,(H,28,29)(H2,26,27,30);1-9,31H,(H,28,29)(H2,26,27,30);1-9,31H,(H,28,29)(H2,25,26,30);1-8,31H,(H,28,29)(H2,25,26,30)
InChIKeyRVFLUHDRZHIUIQ-UHFFFAOYSA-N
MW4398.59 g/mol
LogP46.23
Rot. Bonds55

About 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide (PubChem CID 160738157) has the molecular formula C181H137Cl9F27N45O33S3 and a molecular weight of 4398.59 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide
PubChem CID160738157
Molecular FormulaC181H137Cl9F27N45O33S3
Molecular Weight4398.59 g/mol
Exact Mass4391.64
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide
SMILESCCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCONC(=O)c1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O=C(Nc1ccc(Oc2cc(C(=O)NO)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C(=O)NO)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C(=O)NO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc(C(=O)NO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H18ClF3N4O4.C21H17ClF3N5O4.2C21H17ClF3N5O3S.C20H16ClF3N6O3S.C20H14ClF3N4O4.2C19H13ClF3N5O4.C18H12ClF3N6O4/c1-2-33-30-20(31)19-12-16(9-10-27-19)34-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26;1-2-33-30-19(31)18-26-10-9-17(29-18)34-14-6-3-12(4-7-14)27-20(32)28-13-5-8-16(22)15(11-13)21(23,24)25;1-2-33-30-19(31)17-10-18(27-11-26-17)34-14-6-3-12(4-7-14)28-20(32)29-13-5-8-16(22)15(9-13)21(23,24)25;1-2-33-30-19(31)18-26-10-9-17(29-18)34-14-6-3-12(4-7-14)27-20(32)28-13-5-8-16(22)15(11-13)21(23,24)25;1-2-33-30-17(31)16-25-10-26-19(29-16)34-13-6-3-11(4-7-13)27-18(32)28-12-5-8-15(21)14(9-12)20(22,23)24;21-16-6-3-12(9-15(16)20(22,23)24)27-19(30)26-11-1-4-13(5-2-11)32-14-7-8-25-17(10-14)18(29)28-31;20-14-6-3-11(7-13(14)19(21,22)23)27-18(30)26-10-1-4-12(5-2-10)32-16-8-15(17(29)28-31)24-9-25-16;20-14-6-3-11(9-13(14)19(21,22)23)26-18(30)25-10-1-4-12(5-2-10)32-15-7-8-24-16(27-15)17(29)28-31;19-13-6-3-10(7-12(13)18(20,21)22)26-16(30)25-9-1-4-11(5-2-9)32-17-24-8-23-14(27-17)15(29)28-31/h3-12H,2H2,1H3,(H,30,31)(H2,28,29,32);3-11H,2H2,1H3,(H,30,31)(H2,27,28,32);3-11H,2H2,1H3,(H,30,31)(H2,28,29,32);3-11H,2H2,1H3,(H,30,31)(H2,27,28,32);3-10H,2H2,1H3,(H,30,31)(H2,27,28,32);1-10,31H,(H,28,29)(H2,26,27,30);1-9,31H,(H,28,29)(H2,26,27,30);1-9,31H,(H,28,29)(H2,25,26,30);1-8,31H,(H,28,29)(H2,25,26,30)
InChIKeyRVFLUHDRZHIUIQ-UHFFFAOYSA-N
XLogP46.23
TPSA1046.54 Ų
H-Bond Donors31
H-Bond Acceptors54
Rotatable Bonds55
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004398.59
LogP ≤ 546.23
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1054

Analyze 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide (CID 160738157) is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide is CCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCONC(=O)c1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O=C(Nc1ccc(Oc2cc(C(=O)NO)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C(=O)NO)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccnc(C(=O)NO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ncnc(C(=O)NO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide?
The InChIKey is RVFLUHDRZHIUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O4.C21H17ClF3N5O4.2C21H17ClF3N5O3S.C20H16ClF3N6O3S.C20H14ClF3N4O4.2C19H13ClF3N5O4.C18H12ClF3N6O4/c1-2-33-30-20(31)19-12-16(9-10-27-19)34-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26;1-2-33-30-19(31)18-26-10-9-17(29-18)34-14-6-3-12(4-7-14)27-20(32)28-13-5-8-16(22)15(11-13)21(23,24)25;1-2-33-30-19(31)17-10-18(27-11-26-17)34-14-6-3-12(4-7-14)28-20(32)29-13-5-8-16(22)15(9-13)21(23,24)25;1-2-33-30-19(31)18-26-10-9-17(29-18)34-14-6-3-12(4-7-14)27-20(32)28-13-5-8-16(22)15(11-13)21(23,24)25;1-2-33-30-17(31)16-25-10-26-19(29-16)34-13-6-3-11(4-7-13)27-18(32)28-12-5-8-15(21)14(9-12)20(22,23)24;21-16-6-3-12(9-15(16)20(22,23)24)27-19(30)26-11-1-4-13(5-2-11)32-14-7-8-25-17(10-14)18(29)28-31;20-14-6-3-11(7-13(14)19(21,22)23)27-18(30)26-10-1-4-12(5-2-10)32-16-8-15(17(29)28-31)24-9-25-16;20-14-6-3-11(9-13(14)19(21,22)23)26-18(30)25-10-1-4-12(5-2-10)32-15-7-8-24-16(27-15)17(29)28-31;19-13-6-3-10(7-12(13)18(20,21)22)26-16(30)25-9-1-4-11(5-2-9)32-17-24-8-23-14(27-17)15(29)28-31/h3-12H,2H2,1H3,(H,30,31)(H2,28,29,32);3-11H,2H2,1H3,(H,30,31)(H2,27,28,32);3-11H,2H2,1H3,(H,30,31)(H2,28,29,32);3-11H,2H2,1H3,(H,30,31)(H2,27,28,32);3-10H,2H2,1H3,(H,30,31)(H2,27,28,32);1-10,31H,(H,28,29)(H2,26,27,30);1-9,31H,(H,28,29)(H2,26,27,30);1-9,31H,(H,28,29)(H2,25,26,30);1-8,31H,(H,28,29)(H2,25,26,30).
What are the key properties of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide?
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide has a molecular weight of 4398.59 g/mol, XLogP of 46.23, 55 rotatable bonds, 31 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-ethoxypyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanyl-N-ethoxy-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 160738157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).