N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide

C186H131ClF32N28O20S2 — CID 157064780

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C)cn1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncs1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-n1ccnc1.O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cncnc2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C20H16F3N3O3.C19H13F4N3O3.C19H12F4N2O2.C19H14F3N3O2.C19H14F3N3O.C18H12ClF2N3O2.C18H11F4N3O2.C18H14F3N3O2.C18H12F3N3OS.C18H13F3N2O2S/c1-12-3-4-13(9-17(12)14-10-24-19(28-2)25-11-14)18(27)26-15-5-7-16(8-6-15)29-20(21,22)23;1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;20-17-8-3-12(10-16(17)13-2-1-9-24-11-13)18(26)25-14-4-6-15(7-5-14)27-19(21,22)23;1-12-2-3-13(8-17(12)14-9-23-11-24-10-14)18(26)25-15-4-6-16(7-5-15)27-19(20,21)22;20-19(21,22)9-13-4-6-17(7-5-13)25-18(26)15-3-1-2-14(8-15)16-10-23-12-24-11-16;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-12-2-3-13(10-16(12)24-9-8-22-11-24)17(25)23-14-4-6-15(7-5-14)26-18(19,20)21;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;1-11-2-3-12(8-15(11)16-9-22-10-26-16)17(24)23-13-4-6-14(7-5-13)25-18(19,20)21/h3-11H,1-2H3,(H,26,27);2-10H,1H3,(H,26,27);1-11H,(H,25,26);2-11H,1H3,(H,25,26);1-8,10-12H,9H2,(H,25,26);1-11H,(H,24,25);1-10H,(H,25,26);2-11H,1H3,(H,23,25);1-11H,(H,24,25);2-10H,1H3,(H,23,24)
InChIKeyABTDDEPJNBTWCT-UHFFFAOYSA-N
MW3785.79 g/mol
LogP46.80
Rot. Bonds43

About N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide

N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide (PubChem CID 157064780) has the molecular formula C186H131ClF32N28O20S2 and a molecular weight of 3785.79 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
PubChem CID157064780
Molecular FormulaC186H131ClF32N28O20S2
Molecular Weight3785.79 g/mol
Exact Mass3782.87
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C)cn1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncs1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-n1ccnc1.O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cncnc2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C20H16F3N3O3.C19H13F4N3O3.C19H12F4N2O2.C19H14F3N3O2.C19H14F3N3O.C18H12ClF2N3O2.C18H11F4N3O2.C18H14F3N3O2.C18H12F3N3OS.C18H13F3N2O2S/c1-12-3-4-13(9-17(12)14-10-24-19(28-2)25-11-14)18(27)26-15-5-7-16(8-6-15)29-20(21,22)23;1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;20-17-8-3-12(10-16(17)13-2-1-9-24-11-13)18(26)25-14-4-6-15(7-5-14)27-19(21,22)23;1-12-2-3-13(8-17(12)14-9-23-11-24-10-14)18(26)25-15-4-6-16(7-5-15)27-19(20,21)22;20-19(21,22)9-13-4-6-17(7-5-13)25-18(26)15-3-1-2-14(8-15)16-10-23-12-24-11-16;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-12-2-3-13(10-16(12)24-9-8-22-11-24)17(25)23-14-4-6-15(7-5-14)26-18(19,20)21;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;1-11-2-3-12(8-15(11)16-9-22-10-26-16)17(24)23-13-4-6-14(7-5-13)25-18(19,20)21/h3-11H,1-2H3,(H,26,27);2-10H,1H3,(H,26,27);1-11H,(H,25,26);2-11H,1H3,(H,25,26);1-8,10-12H,9H2,(H,25,26);1-11H,(H,24,25);1-10H,(H,25,26);2-11H,1H3,(H,23,25);1-11H,(H,24,25);2-10H,1H3,(H,23,24)
InChIKeyABTDDEPJNBTWCT-UHFFFAOYSA-N
XLogP46.80
TPSA607.36 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds43
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003785.79
LogP ≤ 546.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide with MolForge

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Related Compounds

CID 157100933
CID 157100933
3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-N-methylbenzamide;N-[(4-fluorophenyl)methyl]-1-[4-[6-(2-methyl-1,3-thiazol-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenamine;N-[1-[4-[6-[4-(methylsulfonylmethyl)phenyl]-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-[1-[4-[6-(2-methyl-1,3-thiazol-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide
CID 160403513
4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 161441017
3-(5-aminopyrazin-2-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;3-(5-cyano-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-ylbenzamide;3-[2-(2-hydroxyethoxy)pyrimidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;methyl 4-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxylate;3-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide;3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 161477596
N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-ylbenzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
CID 161954545
3-[(1R)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-[[2-methyl-5-(1,3-thiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;8-(1-methyl-6-oxo-3-pyridinyl)-3-[(1S)-1-[[2-methyl-5-(1,3-thiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 157077576

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide (CID 157064780) is N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide is COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C)cn1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncs1.Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-n1ccnc1.O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cccc(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cncnc2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is ABTDDEPJNBTWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3.C19H13F4N3O3.C19H12F4N2O2.C19H14F3N3O2.C19H14F3N3O.C18H12ClF2N3O2.C18H11F4N3O2.C18H14F3N3O2.C18H12F3N3OS.C18H13F3N2O2S/c1-12-3-4-13(9-17(12)14-10-24-19(28-2)25-11-14)18(27)26-15-5-7-16(8-6-15)29-20(21,22)23;1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;20-17-8-3-12(10-16(17)13-2-1-9-24-11-13)18(26)25-14-4-6-15(7-5-14)27-19(21,22)23;1-12-2-3-13(8-17(12)14-9-23-11-24-10-14)18(26)25-15-4-6-16(7-5-15)27-19(20,21)22;20-19(21,22)9-13-4-6-17(7-5-13)25-18(26)15-3-1-2-14(8-15)16-10-23-12-24-11-16;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-12-2-3-13(10-16(12)24-9-8-22-11-24)17(25)23-14-4-6-15(7-5-14)26-18(19,20)21;19-18(20,21)26-16-6-4-15(5-7-16)24-17(25)13-3-1-2-12(8-13)14-9-22-11-23-10-14;1-11-2-3-12(8-15(11)16-9-22-10-26-16)17(24)23-13-4-6-14(7-5-13)25-18(19,20)21/h3-11H,1-2H3,(H,26,27);2-10H,1H3,(H,26,27);1-11H,(H,25,26);2-11H,1H3,(H,25,26);1-8,10-12H,9H2,(H,25,26);1-11H,(H,24,25);1-10H,(H,25,26);2-11H,1H3,(H,23,25);1-11H,(H,24,25);2-10H,1H3,(H,23,24).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 3785.79 g/mol, XLogP of 46.80, 43 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-3-pyrimidin-5-ylbenzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-imidazol-1-yl-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methoxypyrimidin-5-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(2,2,2-trifluoroethyl)phenyl]benzamide;3-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 157064780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).