4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide

C177H140Br2Cl6F21N49O35S4 — CID 159966645

IUPAC4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide
SMILESCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)ccn1.CONC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)ncn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)c2)ccn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)c2)ncn1.CONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)n1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cn2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cn2)n1
InChIInChI=1S/C22H19F3N4O5.C21H16BrF3N4O4.2C21H18F3N5O5.C20H15BrF3N5O4.C19H14ClF3N6O3S.C18H14Cl2N6O3S.C18H13ClF3N7O3S.C17H13Cl2N7O3S/c1-32-15-7-8-17(22(23,24)25)18(11-15)28-21(31)27-13-3-5-14(6-4-13)34-16-9-10-26-19(12-16)20(30)29-33-2;1-32-29-19(30)18-11-15(7-8-26-18)33-14-4-2-3-12(9-14)27-20(31)28-13-5-6-17(22)16(10-13)21(23,24)25;1-32-14-7-8-15(21(22,23)24)16(9-14)28-20(31)27-12-3-5-13(6-4-12)34-18-10-17(25-11-26-18)19(30)29-33-2;1-32-14-7-8-15(21(22,23)24)16(11-14)27-20(31)26-12-3-5-13(6-4-12)34-17-9-10-25-18(28-17)19(30)29-33-2;1-32-29-18(30)16-9-17(26-10-25-16)33-13-4-2-3-11(7-13)27-19(31)28-12-5-6-15(21)14(8-12)20(22,23)24;1-32-29-17(30)16-24-7-6-15(28-16)33-14-5-3-11(9-25-14)27-18(31)26-10-2-4-13(20)12(8-10)19(21,22)23;1-29-26-17(27)16-21-7-6-15(25-16)30-14-5-3-11(9-22-14)24-18(28)23-10-2-4-12(19)13(20)8-10;1-32-29-15(30)14-24-8-25-17(28-14)33-13-5-3-10(7-23-13)27-16(31)26-9-2-4-12(19)11(6-9)18(20,21)22;1-29-26-15(27)14-21-8-22-17(25-14)30-13-5-3-10(7-20-13)24-16(28)23-9-2-4-11(18)12(19)6-9/h3-12H,1-2H3,(H,29,30)(H2,27,28,31);2-11H,1H3,(H,29,30)(H2,27,28,31);3-11H,1-2H3,(H,29,30)(H2,27,28,31);3-11H,1-2H3,(H,29,30)(H2,26,27,31);2-10H,1H3,(H,29,30)(H2,27,28,31);2-9H,1H3,(H,29,30)(H2,26,27,31);2-9H,1H3,(H,26,27)(H2,23,24,28);2-8H,1H3,(H,29,30)(H2,26,27,31);2-8H,1H3,(H,26,27)(H2,23,24,28)
InChIKeyOEADQJPPNFQPGX-UHFFFAOYSA-N
MW4413.13 g/mol
LogP40.46
Rot. Bonds57

About 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide

4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide (PubChem CID 159966645) has the molecular formula C177H140Br2Cl6F21N49O35S4 and a molecular weight of 4413.13 g/mol. Its IUPAC name is 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide
PubChem CID159966645
Molecular FormulaC177H140Br2Cl6F21N49O35S4
Molecular Weight4413.13 g/mol
Exact Mass4405.57
IUPAC Name4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide
SMILESCONC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)ccn1.CONC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)ncn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)c2)ccn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)c2)ncn1.CONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)n1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cn2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cn2)n1
InChIInChI=1S/C22H19F3N4O5.C21H16BrF3N4O4.2C21H18F3N5O5.C20H15BrF3N5O4.C19H14ClF3N6O3S.C18H14Cl2N6O3S.C18H13ClF3N7O3S.C17H13Cl2N7O3S/c1-32-15-7-8-17(22(23,24)25)18(11-15)28-21(31)27-13-3-5-14(6-4-13)34-16-9-10-26-19(12-16)20(30)29-33-2;1-32-29-19(30)18-11-15(7-8-26-18)33-14-4-2-3-12(9-14)27-20(31)28-13-5-6-17(22)16(10-13)21(23,24)25;1-32-14-7-8-15(21(22,23)24)16(9-14)28-20(31)27-12-3-5-13(6-4-12)34-18-10-17(25-11-26-18)19(30)29-33-2;1-32-14-7-8-15(21(22,23)24)16(11-14)27-20(31)26-12-3-5-13(6-4-12)34-17-9-10-25-18(28-17)19(30)29-33-2;1-32-29-18(30)16-9-17(26-10-25-16)33-13-4-2-3-11(7-13)27-19(31)28-12-5-6-15(21)14(8-12)20(22,23)24;1-32-29-17(30)16-24-7-6-15(28-16)33-14-5-3-11(9-25-14)27-18(31)26-10-2-4-13(20)12(8-10)19(21,22)23;1-29-26-17(27)16-21-7-6-15(25-16)30-14-5-3-11(9-22-14)24-18(28)23-10-2-4-12(19)13(20)8-10;1-32-29-15(30)14-24-8-25-17(28-14)33-13-5-3-10(7-23-13)27-16(31)26-9-2-4-12(19)11(6-9)18(20,21)22;1-29-26-15(27)14-21-8-22-17(25-14)30-13-5-3-10(7-20-13)24-16(28)23-9-2-4-11(18)12(19)6-9/h3-12H,1-2H3,(H,29,30)(H2,27,28,31);2-11H,1H3,(H,29,30)(H2,27,28,31);3-11H,1-2H3,(H,29,30)(H2,27,28,31);3-11H,1-2H3,(H,29,30)(H2,26,27,31);2-10H,1H3,(H,29,30)(H2,27,28,31);2-9H,1H3,(H,29,30)(H2,26,27,31);2-9H,1H3,(H,26,27)(H2,23,24,28);2-8H,1H3,(H,29,30)(H2,26,27,31);2-8H,1H3,(H,26,27)(H2,23,24,28)
InChIKeyOEADQJPPNFQPGX-UHFFFAOYSA-N
XLogP40.46
TPSA1072.56 Ų
H-Bond Donors27
H-Bond Acceptors61
Rotatable Bonds57
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004413.13
LogP ≤ 540.46
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1061

Analyze 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-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-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide?
The IUPAC name of 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide (CID 159966645) is 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide?
The canonical SMILES for 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide is CONC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)ccn1.CONC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)ncn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)c2)ccn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)c2)ncn1.CONC(=O)c1nccc(Oc2ccc(NC(=O)Nc3cc(OC)ccc3C(F)(F)F)cc2)n1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cn2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cn2)n1.
What is the InChIKey of 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide?
The InChIKey is OEADQJPPNFQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O5.C21H16BrF3N4O4.2C21H18F3N5O5.C20H15BrF3N5O4.C19H14ClF3N6O3S.C18H14Cl2N6O3S.C18H13ClF3N7O3S.C17H13Cl2N7O3S/c1-32-15-7-8-17(22(23,24)25)18(11-15)28-21(31)27-13-3-5-14(6-4-13)34-16-9-10-26-19(12-16)20(30)29-33-2;1-32-29-19(30)18-11-15(7-8-26-18)33-14-4-2-3-12(9-14)27-20(31)28-13-5-6-17(22)16(10-13)21(23,24)25;1-32-14-7-8-15(21(22,23)24)16(9-14)28-20(31)27-12-3-5-13(6-4-12)34-18-10-17(25-11-26-18)19(30)29-33-2;1-32-14-7-8-15(21(22,23)24)16(11-14)27-20(31)26-12-3-5-13(6-4-12)34-17-9-10-25-18(28-17)19(30)29-33-2;1-32-29-18(30)16-9-17(26-10-25-16)33-13-4-2-3-11(7-13)27-19(31)28-12-5-6-15(21)14(8-12)20(22,23)24;1-32-29-17(30)16-24-7-6-15(28-16)33-14-5-3-11(9-25-14)27-18(31)26-10-2-4-13(20)12(8-10)19(21,22)23;1-29-26-17(27)16-21-7-6-15(25-16)30-14-5-3-11(9-22-14)24-18(28)23-10-2-4-12(19)13(20)8-10;1-32-29-15(30)14-24-8-25-17(28-14)33-13-5-3-10(7-23-13)27-16(31)26-9-2-4-12(19)11(6-9)18(20,21)22;1-29-26-15(27)14-21-8-22-17(25-14)30-13-5-3-10(7-20-13)24-16(28)23-9-2-4-11(18)12(19)6-9/h3-12H,1-2H3,(H,29,30)(H2,27,28,31);2-11H,1H3,(H,29,30)(H2,27,28,31);3-11H,1-2H3,(H,29,30)(H2,27,28,31);3-11H,1-2H3,(H,29,30)(H2,26,27,31);2-10H,1H3,(H,29,30)(H2,27,28,31);2-9H,1H3,(H,29,30)(H2,26,27,31);2-9H,1H3,(H,26,27)(H2,23,24,28);2-8H,1H3,(H,29,30)(H2,26,27,31);2-8H,1H3,(H,26,27)(H2,23,24,28).
What are the key properties of 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide?
4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide has a molecular weight of 4413.13 g/mol, XLogP of 40.46, 57 rotatable bonds, 27 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxypyrimidine-2-carboxamide;4-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-pyridinyl]sulfanyl]-N-methoxy-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[4-[[5-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 159966645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).