N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole

C147H209Cl2F5N26O17S3 — CID 161206324

IUPACN-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole
SMILESCC(=O)Nc1ccc(Cl)c(Cl)c1.CCCC(=O)N1CCN(C)CC1.CCCCCC(=O)N1CCN(C)CC1.CCc1ccccc1.CN1CCCCC1.CN1CCN(C(=O)CC(C)(C)C)CC1.CN1CCN(C(=O)c2ccc3ccccc3c2)CC1.CNC(=O)c1ccccc1O.COC(=O)c1cc(C)nc(SC)n1.COc1cc(NS(C)(=O)=O)nc(OC)n1.Cc1ccc(N2CC(=O)N(C)C2=O)cc1C.Cc1cccc(CC(=O)N2CCN(C)CC2)c1.Cc1ccccc1CC(=O)N1CCN(C)CC1.Cn1ccc(C(F)(F)F)n1.Cn1nc(C(C)(F)F)cc1-c1cccs1
InChIInChI=1S/C16H18N2O.2C14H20N2O.C12H14N2O2.2C11H22N2O.C10H10F2N2S.C9H18N2O.C8H7Cl2NO.C8H10N2O2S.C8H9NO2.C8H10.C7H11N3O4S.C6H13N.C5H5F3N2/c1-17-8-10-18(11-9-17)16(19)15-7-6-13-4-2-3-5-14(13)12-15;1-12-4-3-5-13(10-12)11-14(17)16-8-6-15(2)7-9-16;1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2)8-10-16;1-8-4-5-10(6-9(8)2)14-7-11(15)13(3)12(14)16;1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-3-4-5-6-11(14)13-9-7-12(2)8-10-13;1-10(11,12)9-6-7(14(2)13-9)8-4-3-5-15-8;1-3-4-9(12)11-7-5-10(2)6-8-11;1-5(12)11-6-2-3-7(9)8(10)4-6;1-5-4-6(7(11)12-2)10-8(9-5)13-3;1-9-8(11)6-4-2-3-5-7(6)10;1-2-8-6-4-3-5-7-8;1-13-6-4-5(10-15(3,11)12)8-7(9-6)14-2;1-7-5-3-2-4-6-7;1-10-3-2-4(9-10)5(6,7)8/h2-7,12H,8-11H2,1H3;3-5,10H,6-9,11H2,1-2H3;3-6H,7-11H2,1-2H3;4-6H,7H2,1-3H3;5-9H2,1-4H3;3-10H2,1-2H3;3-6H,1-2H3;3-8H2,1-2H3;2-4H,1H3,(H,11,12);4H,1-3H3;2-5,10H,1H3,(H,9,11);3-7H,2H2,1H3;4H,1-3H3,(H,8,9,10);2-6H2,1H3;2-3H,1H3
InChIKeyUVQJJJKAHVSWHA-UHFFFAOYSA-N
MW2874.55 g/mol
LogP22.56
Rot. Bonds24

About N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole

N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 161206324) has the molecular formula C147H209Cl2F5N26O17S3 and a molecular weight of 2874.55 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID161206324
Molecular FormulaC147H209Cl2F5N26O17S3
Molecular Weight2874.55 g/mol
Exact Mass2871.47
IUPAC NameN-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole
SMILESCC(=O)Nc1ccc(Cl)c(Cl)c1.CCCC(=O)N1CCN(C)CC1.CCCCCC(=O)N1CCN(C)CC1.CCc1ccccc1.CN1CCCCC1.CN1CCN(C(=O)CC(C)(C)C)CC1.CN1CCN(C(=O)c2ccc3ccccc3c2)CC1.CNC(=O)c1ccccc1O.COC(=O)c1cc(C)nc(SC)n1.COc1cc(NS(C)(=O)=O)nc(OC)n1.Cc1ccc(N2CC(=O)N(C)C2=O)cc1C.Cc1cccc(CC(=O)N2CCN(C)CC2)c1.Cc1ccccc1CC(=O)N1CCN(C)CC1.Cn1ccc(C(F)(F)F)n1.Cn1nc(C(C)(F)F)cc1-c1cccs1
InChIInChI=1S/C16H18N2O.2C14H20N2O.C12H14N2O2.2C11H22N2O.C10H10F2N2S.C9H18N2O.C8H7Cl2NO.C8H10N2O2S.C8H9NO2.C8H10.C7H11N3O4S.C6H13N.C5H5F3N2/c1-17-8-10-18(11-9-17)16(19)15-7-6-13-4-2-3-5-14(13)12-15;1-12-4-3-5-13(10-12)11-14(17)16-8-6-15(2)7-9-16;1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2)8-10-16;1-8-4-5-10(6-9(8)2)14-7-11(15)13(3)12(14)16;1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-3-4-5-6-11(14)13-9-7-12(2)8-10-13;1-10(11,12)9-6-7(14(2)13-9)8-4-3-5-15-8;1-3-4-9(12)11-7-5-10(2)6-8-11;1-5(12)11-6-2-3-7(9)8(10)4-6;1-5-4-6(7(11)12-2)10-8(9-5)13-3;1-9-8(11)6-4-2-3-5-7(6)10;1-2-8-6-4-3-5-7-8;1-13-6-4-5(10-15(3,11)12)8-7(9-6)14-2;1-7-5-3-2-4-6-7;1-10-3-2-4(9-10)5(6,7)8/h2-7,12H,8-11H2,1H3;3-5,10H,6-9,11H2,1-2H3;3-6H,7-11H2,1-2H3;4-6H,7H2,1-3H3;5-9H2,1-4H3;3-10H2,1-2H3;3-6H,1-2H3;3-8H2,1-2H3;2-4H,1H3,(H,11,12);4H,1-3H3;2-5,10H,1H3,(H,9,11);3-7H,2H2,1H3;4H,1-3H3,(H,8,9,10);2-6H2,1H3;2-3H,1H3
InChIKeyUVQJJJKAHVSWHA-UHFFFAOYSA-N
XLogP22.56
TPSA441.72 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002874.55
LogP ≤ 522.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;1-methylpiperidine;1-methylpyrrolidine;1-methyl-4-(trifluoromethyl)piperidine;1-methyl-3-(trifluoromethyl)pyrazole;4-thiophen-2-ylbutan-2-one
CID 157819026
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole
CID 159652366
N-(3,4-dichlorophenyl)acetamide;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;1-methylpiperidine;1-methylpyrrolidine;1-methyl-4-(trifluoromethyl)piperidine;4-thiophen-2-ylbutan-2-one
CID 160030029
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole
CID 160764445
N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methylpyrrolidine;1-methyl-4-(trifluoromethyl)piperidine;1-methyl-3-(trifluoromethyl)pyrazole;4-thiophen-2-ylbutan-2-one
CID 161692817
N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methylpyrrolidine;1-methyl-4-(trifluoromethyl)piperidine;1-methyl-3-(trifluoromethyl)pyrazole;4-thiophen-2-ylbutan-2-one
CID 161814286
1-tert-butyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;carbon dioxide;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpiperidine;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 162124753
1-tert-butyl-3-methylpyrazole;1-tert-butyl-3-methyl-5-thiophen-2-ylpyrazole;N-(3,4-dichlorophenyl)-2-methylpropanamide;1-(3,4-dimethylphenyl)-3-propan-2-ylimidazolidine-2,4-dione;4,6-dimethyl-2-propan-2-ylsulfanylpyrimidine;2-hydroxy-N-propan-2-ylbenzamide;N-(6-methoxy-2-methylpyrimidin-4-yl)propane-2-sulfonamide;4-methyl-1-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 161689938

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole (CID 161206324) is N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole is CC(=O)Nc1ccc(Cl)c(Cl)c1.CCCC(=O)N1CCN(C)CC1.CCCCCC(=O)N1CCN(C)CC1.CCc1ccccc1.CN1CCCCC1.CN1CCN(C(=O)CC(C)(C)C)CC1.CN1CCN(C(=O)c2ccc3ccccc3c2)CC1.CNC(=O)c1ccccc1O.COC(=O)c1cc(C)nc(SC)n1.COc1cc(NS(C)(=O)=O)nc(OC)n1.Cc1ccc(N2CC(=O)N(C)C2=O)cc1C.Cc1cccc(CC(=O)N2CCN(C)CC2)c1.Cc1ccccc1CC(=O)N1CCN(C)CC1.Cn1ccc(C(F)(F)F)n1.Cn1nc(C(C)(F)F)cc1-c1cccs1.
What is the InChIKey of N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is UVQJJJKAHVSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.2C14H20N2O.C12H14N2O2.2C11H22N2O.C10H10F2N2S.C9H18N2O.C8H7Cl2NO.C8H10N2O2S.C8H9NO2.C8H10.C7H11N3O4S.C6H13N.C5H5F3N2/c1-17-8-10-18(11-9-17)16(19)15-7-6-13-4-2-3-5-14(13)12-15;1-12-4-3-5-13(10-12)11-14(17)16-8-6-15(2)7-9-16;1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2)8-10-16;1-8-4-5-10(6-9(8)2)14-7-11(15)13(3)12(14)16;1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-3-4-5-6-11(14)13-9-7-12(2)8-10-13;1-10(11,12)9-6-7(14(2)13-9)8-4-3-5-15-8;1-3-4-9(12)11-7-5-10(2)6-8-11;1-5(12)11-6-2-3-7(9)8(10)4-6;1-5-4-6(7(11)12-2)10-8(9-5)13-3;1-9-8(11)6-4-2-3-5-7(6)10;1-2-8-6-4-3-5-7-8;1-13-6-4-5(10-15(3,11)12)8-7(9-6)14-2;1-7-5-3-2-4-6-7;1-10-3-2-4(9-10)5(6,7)8/h2-7,12H,8-11H2,1H3;3-5,10H,6-9,11H2,1-2H3;3-6H,7-11H2,1-2H3;4-6H,7H2,1-3H3;5-9H2,1-4H3;3-10H2,1-2H3;3-6H,1-2H3;3-8H2,1-2H3;2-4H,1H3,(H,11,12);4H,1-3H3;2-5,10H,1H3,(H,9,11);3-7H,2H2,1H3;4H,1-3H3,(H,8,9,10);2-6H2,1H3;2-3H,1H3.
What are the key properties of N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole?
N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 2874.55 g/mol, XLogP of 22.56, 24 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)acetamide;3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole;N-(2,6-dimethoxypyrimidin-4-yl)methanesulfonamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;1-(3,4-dimethylphenyl)-3-methylimidazolidine-2,4-dione;ethylbenzene;2-hydroxy-N-methylbenzamide;methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate;2-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;2-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)butan-1-one;1-(4-methylpiperazin-1-yl)hexan-1-one;(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone;1-methylpiperidine;1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 161206324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).