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

C220H274Br2ClF3N22O19 — CID 162183956

IUPAC4-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
SMILESC.C.C.C.C.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)N1Cc2cccc(C#N)c2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)N1Cc2ncccc2C1=O.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.COc1cccc2c1CN(C(C)C)C2=O.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2
InChIInChI=1S/C15H21NO.C15H17NO.3C12H12N2O.C12H15NO2.4C12H15NO.2C11H12BrNO.C11H12ClNO.3C11H12FNO.C11H13NO.C10H12N2O.7CH4/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-8(2)14-7-10-5-9(6-13)3-4-11(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;4*1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;2*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)13-6-9-8(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;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;;;;;;;/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;3*3-5,8H,7H2,1-2H3;4-6,8H,7H2,1-3H3;4*4-6,8H,7H2,1-3H3;6*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;7*1H4
InChIKeyZPKJLAMZYXGXAN-UHFFFAOYSA-N
MW3783.00 g/mol
LogP46.32
Rot. Bonds22

About 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

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 (PubChem CID 162183956) has the molecular formula C220H274Br2ClF3N22O19 and a molecular weight of 3783.00 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;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.

Molecular Properties

Compound Name4-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
PubChem CID162183956
Molecular FormulaC220H274Br2ClF3N22O19
Molecular Weight3783.00 g/mol
Exact Mass3777.92
IUPAC Name4-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
SMILESC.C.C.C.C.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)N1Cc2cccc(C#N)c2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)N1Cc2ncccc2C1=O.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.COc1cccc2c1CN(C(C)C)C2=O.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2
InChIInChI=1S/C15H21NO.C15H17NO.3C12H12N2O.C12H15NO2.4C12H15NO.2C11H12BrNO.C11H12ClNO.3C11H12FNO.C11H13NO.C10H12N2O.7CH4/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-8(2)14-7-10-5-9(6-13)3-4-11(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;4*1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;2*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)13-6-9-8(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;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;;;;;;;/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;3*3-5,8H,7H2,1-2H3;4-6,8H,7H2,1-3H3;4*4-6,8H,7H2,1-3H3;6*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;7*1H4
InChIKeyZPKJLAMZYXGXAN-UHFFFAOYSA-N
XLogP46.32
TPSA459.07 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003783.00
LogP ≤ 546.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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;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
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;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
2-butyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;2-but-1-ynyl-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-chloro-2-propan-2-yl-3H-isoindol-1-one;2-cyclohexyl-N-propan-2-ylacetamide;3-cyclohexyl-N-propan-2-ylpropanamide;4-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbutanamide;6-methyl-2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylbenzamide;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 167628030
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
2-(5-fluoro-2-methoxyphenyl)-2-[3-oxo-5-[2-[4-(piperazin-1-ylmethyl)phenyl]ethynyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 137352414
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-bromo-3-oxo-1H-isoindol-2-yl)-2-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 137353024
4-chloro-2-(2,6-difluorophenyl)-6-[(2-methoxy-4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118347818
4-[5-butyl-2-(3-fluorophenyl)phenyl]benzonitrile
CID 67726210

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;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?
The IUPAC name of 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) is 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.
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;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?
The canonical SMILES for 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 is C.C.C.C.C.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)N1Cc2cccc(C#N)c2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)N1Cc2ncccc2C1=O.CCC#Cc1ccc2c(c1)CN(C(C)C)C2=O.CCCCc1ccc2c(c1)CN(C(C)C)C2=O.COc1cccc2c1CN(C(C)C)C2=O.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.
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;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?
The InChIKey is ZPKJLAMZYXGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C15H17NO.3C12H12N2O.C12H15NO2.4C12H15NO.2C11H12BrNO.C11H12ClNO.3C11H12FNO.C11H13NO.C10H12N2O.7CH4/c2*1-4-5-6-12-7-8-14-13(9-12)10-16(11(2)3)15(14)17;1-8(2)14-7-10-5-9(6-13)3-4-11(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;4*1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;2*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)13-6-9-8(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;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;;;;;;;/h7-9,11H,4-6,10H2,1-3H3;7-9,11H,4,10H2,1-3H3;3*3-5,8H,7H2,1-2H3;4-6,8H,7H2,1-3H3;4*4-6,8H,7H2,1-3H3;6*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;7*1H4.
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;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?
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 has a molecular weight of 3783.00 g/mol, XLogP of 46.32, 22 rotatable bonds, 0 hydrogen bond donors, and 23 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;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 is sourced from PubChem (CID 162183956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).