2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione

C16H12INO2 — CID 103430521

IUPAC2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1cccc(I)c1)C2=O
InChIInChI=1S/C16H12INO2/c1-9-6-7-10(2)14-13(9)15(19)18(16(14)20)12-5-3-4-11(17)8-12/h3-8H,1-2H3
InChIKeyVYNPAAKLCHSYJA-UHFFFAOYSA-N
MW377.18 g/mol
LogP3.71
Rot. Bonds1

About 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione

2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430521) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430521
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1cccc(I)c1)C2=O
InChIInChI=1S/C16H12INO2/c1-9-6-7-10(2)14-13(9)15(19)18(16(14)20)12-5-3-4-11(17)8-12/h3-8H,1-2H3
InChIKeyVYNPAAKLCHSYJA-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500279
2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430852
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
4-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 129087168
4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione
CID 13486509
2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592280
(1R,2R,6S,7R)-4-(3-iodophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98081428
4-amino-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione
CID 23825763
(1S,2R,6S,7S)-4-(3-iodophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98081422
(1R,2R,6S,7R)-4-(3-iodophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98201447
4-(3-iodophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2913325
[(3S,4S)-4-benzoyloxy-1-(3-iodophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126301093

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione (CID 103430521) is 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(c1cccc(I)c1)C2=O.
What is the InChIKey of 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is VYNPAAKLCHSYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c1-9-6-7-10(2)14-13(9)15(19)18(16(14)20)12-5-3-4-11(17)8-12/h3-8H,1-2H3.
What are the key properties of 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione?
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 377.18 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).