4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione

C16H14N2O2 — CID 4219186

IUPAC4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc(N)c3C2=O)c(C)c1
InChIInChI=1S/C16H14N2O2/c1-9-6-7-13(10(2)8-9)18-15(19)11-4-3-5-12(17)14(11)16(18)20/h3-8H,17H2,1-2H3
InChIKeyLMUPCLNQKZCVMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds1

About 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione

4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione (PubChem CID 4219186) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
PubChem CID4219186
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc(N)c3C2=O)c(C)c1
InChIInChI=1S/C16H14N2O2/c1-9-6-7-13(10(2)8-9)18-15(19)11-4-3-5-12(17)14(11)16(18)20/h3-8H,17H2,1-2H3
InChIKeyLMUPCLNQKZCVMI-UHFFFAOYSA-N
XLogP2.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
5-Methylisatin
CID 11840
benz(cd)indol-2(1H)-one
CID 67222
N-1-Naphthylphthalimide
CID 79252
5-Phenylisatin
CID 14810157
1H-Isoindole-1,3(2H)-dione, 4-amino-
CID 72914
2,6-Dimethylphenylphthalimide
CID 73324
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione (CID 4219186) is 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3cccc(N)c3C2=O)c(C)c1.
What is the InChIKey of 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione?
The InChIKey is LMUPCLNQKZCVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-6-7-13(10(2)8-9)18-15(19)11-4-3-5-12(17)14(11)16(18)20/h3-8H,17H2,1-2H3.
What are the key properties of 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione?
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 4219186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).