4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one

C175H195Br3Cl2F4N20O17 — CID 158347367

IUPAC4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one
SMILESCC(=O)NC(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC(C)N1Cc2cc(C#N)ccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2ccc(Br)cc2C1=O.CC(C)N1Cc2ccc(C#N)cc2C1=O.CC(C)N1Cc2ccc(Cl)cc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2cccc(C#N)c2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.COc1cccc2c1CN(C(C)C)C2=O
InChIInChI=1S/4C12H12N2O.C12H15NO2.3C11H12BrNO.2C11H12ClNO.4C11H12FNO.C11H13NO.C5H11NO/c1-8(2)14-7-10-5-9(6-13)3-4-11(10)12(14)15;1-8(2)14-7-10-4-3-9(6-13)5-11(10)12(14)15;1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;1-8(2)14-7-10-5-3-4-9(6-13)11(10)12(14)15;1-8(2)13-7-10-9(12(13)14)5-4-6-11(10)15-3;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-4(2)6-5(3)7/h4*3-5,8H,7H2,1-2H3;4-6,8H,7H2,1-3H3;9*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4H,1-3H3,(H,6,7)
InChIKeyGRWXXSXBXOEIRI-UHFFFAOYSA-N
MW3237.22 g/mol
LogP34.94
Rot. Bonds17

About 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one

4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one (PubChem CID 158347367) has the molecular formula C175H195Br3Cl2F4N20O17 and a molecular weight of 3237.22 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one
PubChem CID158347367
Molecular FormulaC175H195Br3Cl2F4N20O17
Molecular Weight3237.22 g/mol
Exact Mass3231.19
IUPAC Name4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one
SMILESCC(=O)NC(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC(C)N1Cc2cc(C#N)ccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2ccc(Br)cc2C1=O.CC(C)N1Cc2ccc(C#N)cc2C1=O.CC(C)N1Cc2ccc(Cl)cc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2cccc(C#N)c2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.COc1cccc2c1CN(C(C)C)C2=O
InChIInChI=1S/4C12H12N2O.C12H15NO2.3C11H12BrNO.2C11H12ClNO.4C11H12FNO.C11H13NO.C5H11NO/c1-8(2)14-7-10-5-9(6-13)3-4-11(10)12(14)15;1-8(2)14-7-10-4-3-9(6-13)5-11(10)12(14)15;1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;1-8(2)14-7-10-5-3-4-9(6-13)11(10)12(14)15;1-8(2)13-7-10-9(12(13)14)5-4-6-11(10)15-3;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-4(2)6-5(3)7/h4*3-5,8H,7H2,1-2H3;4-6,8H,7H2,1-3H3;9*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4H,1-3H3,(H,6,7)
InChIKeyGRWXXSXBXOEIRI-UHFFFAOYSA-N
XLogP34.94
TPSA438.14 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003237.22
LogP ≤ 534.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;methane;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;tetrakis(6-methyl-2-propan-2-yl-3H-isoindol-1-one);1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;2-propan-2-yl-3H-isoindol-1-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162183956
4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;methane;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;bis(5-methyl-2-propan-2-yl-3H-isoindol-1-one);tetrakis(6-methyl-2-propan-2-yl-3H-isoindol-1-one);1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;2-propan-2-yl-3H-isoindol-1-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158614289
4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;tris(5-methyl-2-propan-2-yl-3H-isoindol-1-one);tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;2-propan-2-yl-3H-isoindol-1-one
CID 158631438
4-bromo-2-propan-2-yl-3H-isoindol-1-one;7-bromo-2-propan-2-yl-3H-isoindol-1-one;5-butyl-2-propan-2-yl-3H-isoindol-1-one;5-but-1-ynyl-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;7-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;methane;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;7-methoxy-2-propan-2-yl-3H-isoindol-1-one;3-methoxy-1-propan-2-yl-2H-pyrrol-5-one;tris(5-methyl-2-propan-2-yl-3H-isoindol-1-one);6-methyl-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile
CID 157401044
6-[2-(4-cyano-3-oxo-1H-isoindol-2-yl)propyl]-1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile
CID 139545674
6-bromo-2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(4-bromo-1,3-thiazol-5-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;7-chloro-2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-2-[3-[4-(4-cyclopropyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;6-fluoro-2-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;7-fluoro-2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 159412333
4-chloro-5-[1-(7-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-2-propan-2-yl-3H-isoindol-1-one
CID 146526491
2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
CID 146381555
N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
CID 69043958
3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-5-carbonitrile
CID 134537684
2-(5-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 137353024
N-[(5-cyano-2-fluorophenyl)methyl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75502037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one (CID 158347367) is 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one is CC(=O)NC(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(Cl)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC(C)N1Cc2cc(C#N)ccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2ccc(Br)cc2C1=O.CC(C)N1Cc2ccc(C#N)cc2C1=O.CC(C)N1Cc2ccc(Cl)cc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2cccc(C#N)c2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.COc1cccc2c1CN(C(C)C)C2=O.
What is the InChIKey of 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is GRWXXSXBXOEIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H12N2O.C12H15NO2.3C11H12BrNO.2C11H12ClNO.4C11H12FNO.C11H13NO.C5H11NO/c1-8(2)14-7-10-5-9(6-13)3-4-11(10)12(14)15;1-8(2)14-7-10-4-3-9(6-13)5-11(10)12(14)15;1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;1-8(2)14-7-10-5-3-4-9(6-13)11(10)12(14)15;1-8(2)13-7-10-9(12(13)14)5-4-6-11(10)15-3;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-4(2)6-5(3)7/h4*3-5,8H,7H2,1-2H3;4-6,8H,7H2,1-3H3;9*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4H,1-3H3,(H,6,7).
What are the key properties of 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one?
4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 3237.22 g/mol, XLogP of 34.94, 17 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;6-bromo-2-propan-2-yl-3H-isoindol-1-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;6-chloro-2-propan-2-yl-3H-isoindol-1-one;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;4-methoxy-2-propan-2-yl-3H-isoindol-1-one;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;1-oxo-2-propan-2-yl-3H-isoindole-5-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-4-carbonitrile;3-oxo-2-propan-2-yl-1H-isoindole-5-carbonitrile;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 158347367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).