2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone

C193H201Cl5F10N8O13S3 — CID 158233610

IUPAC2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2C#N)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)c1F.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1
InChIInChI=1S/C19H18FNO.C19H21FO2.C18H18ClFO.C18H18F2O.C18H18N2O.C18H21NO2.C17H18ClFS.C17H18ClNO.C17H18FNO.C16H15ClF3NO2S.C16H18ClNOS/c1-12(22)14-9-16(15-8-6-5-7-13(15)11-21)18(20)17(10-14)19(2,3)4;1-12(21)13-10-15(14-8-6-7-9-17(14)22-5)18(20)16(11-13)19(2,3)4;2*1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-12(20)13-10-15(19-17(11-13)18(2,3)4)14-8-6-7-9-16(14)21-5;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h5-10H,1-4H3;6-11H,1-5H3;3*5-10H,1-4H3;6-11H,1-5H3;3*5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3
InChIKeyGERMGDHXUJVORY-UHFFFAOYSA-N
MW3304.22 g/mol
LogP53.91
Rot. Bonds24

About 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone

2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone (PubChem CID 158233610) has the molecular formula C193H201Cl5F10N8O13S3 and a molecular weight of 3304.22 g/mol. Its IUPAC name is 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
PubChem CID158233610
Molecular FormulaC193H201Cl5F10N8O13S3
Molecular Weight3304.22 g/mol
Exact Mass3299.28
IUPAC Name2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2C#N)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)c1F.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1
InChIInChI=1S/C19H18FNO.C19H21FO2.C18H18ClFO.C18H18F2O.C18H18N2O.C18H21NO2.C17H18ClFS.C17H18ClNO.C17H18FNO.C16H15ClF3NO2S.C16H18ClNOS/c1-12(22)14-9-16(15-8-6-5-7-13(15)11-21)18(20)17(10-14)19(2,3)4;1-12(21)13-10-15(14-8-6-7-9-17(14)22-5)18(20)16(11-13)19(2,3)4;2*1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-12(20)13-10-15(19-17(11-13)18(2,3)4)14-8-6-7-9-16(14)21-5;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h5-10H,1-4H3;6-11H,1-5H3;3*5-10H,1-4H3;6-11H,1-5H3;3*5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3
InChIKeyGERMGDHXUJVORY-UHFFFAOYSA-N
XLogP53.91
TPSA331.15 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003304.22
LogP ≤ 553.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157085976
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 157106120
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 157375274
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 157500334
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157655779
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-tert-butyl-2-fluoro-3-(5-methoxy-2-methylphenyl)benzene;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;bis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);bis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone)
CID 157728666
2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone
CID 157798591
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 157850219
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone
CID 158418529
2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158426217
2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 158460326
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158766623

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone?
The IUPAC name of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone (CID 158233610) is 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone.
What is the SMILES notation for 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone?
The canonical SMILES for 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone is CC(=O)c1cc(-c2ccccc2C#N)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2C#N)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2Cl)nc(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)c(F)c(C(C)(C)C)c1.CC(=O)c1cc(-c2ccccc2F)nc(C(C)(C)C)c1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)c1F.COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.
What is the InChIKey of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone?
The InChIKey is GERMGDHXUJVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO.C19H21FO2.C18H18ClFO.C18H18F2O.C18H18N2O.C18H21NO2.C17H18ClFS.C17H18ClNO.C17H18FNO.C16H15ClF3NO2S.C16H18ClNOS/c1-12(22)14-9-16(15-8-6-5-7-13(15)11-21)18(20)17(10-14)19(2,3)4;1-12(21)13-10-15(14-8-6-7-9-17(14)22-5)18(20)16(11-13)19(2,3)4;2*1-11(21)12-9-14(13-7-5-6-8-16(13)19)17(20)15(10-12)18(2,3)4;1-12(21)14-9-16(20-17(10-14)18(2,3)4)15-8-6-5-7-13(15)11-19;1-12(20)13-10-15(19-17(11-13)18(2,3)4)14-8-6-7-9-16(14)21-5;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18;2*1-11(20)12-9-15(13-7-5-6-8-14(13)18)19-16(10-12)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h5-10H,1-4H3;6-11H,1-5H3;3*5-10H,1-4H3;6-11H,1-5H3;3*5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3.
What are the key properties of 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone?
2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone has a molecular weight of 3304.22 g/mol, XLogP of 53.91, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone is sourced from PubChem (CID 158233610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).