5-anilino-2-methylisoindole-1,3-dione

C15H12N2O2 — CID 46230999

IUPAC5-anilino-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
InChIInChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyDAHJVNUHBMYWCF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.66
Rot. Bonds2

About 5-anilino-2-methylisoindole-1,3-dione

5-anilino-2-methylisoindole-1,3-dione (PubChem CID 46230999) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-anilino-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-anilino-2-methylisoindole-1,3-dione
PubChem CID46230999
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-anilino-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
InChIInChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyDAHJVNUHBMYWCF-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
4-Nitro-N-methylphthalimide
CID 92321
4,5-Dianilinophthalimide
CID 1697
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
4-Aminophthalimide
CID 72915
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
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
Cgp53353
CID 6711154

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-methylisoindole-1,3-dione?
The IUPAC name of 5-anilino-2-methylisoindole-1,3-dione (CID 46230999) is 5-anilino-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-anilino-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-anilino-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O.
What is the InChIKey of 5-anilino-2-methylisoindole-1,3-dione?
The InChIKey is DAHJVNUHBMYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of 5-anilino-2-methylisoindole-1,3-dione?
5-anilino-2-methylisoindole-1,3-dione has a molecular weight of 252.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-methylisoindole-1,3-dione is sourced from PubChem (CID 46230999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).