2-(2-aminophenyl)isoindole-1,3-dione

C14H10N2O2 — CID 673676

IUPAC2-(2-aminophenyl)isoindole-1,3-dione
SMILESNc1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H10N2O2/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(16)18/h1-8H,15H2
InChIKeyOAJOEZGYYINOJB-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.07
Rot. Bonds1

About 2-(2-aminophenyl)isoindole-1,3-dione

2-(2-aminophenyl)isoindole-1,3-dione (PubChem CID 673676) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(2-aminophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-aminophenyl)isoindole-1,3-dione
PubChem CID673676
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(2-aminophenyl)isoindole-1,3-dione
SMILESNc1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H10N2O2/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(16)18/h1-8H,15H2
InChIKeyOAJOEZGYYINOJB-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.07
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
4,5-Dianilinophthalimide
CID 1697
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
N-(2-aminophenyl)benzamide
CID 759408
2,6-Dimethylphenylphthalimide
CID 73324
Cps 49
CID 9905583
Phthalimide, N-(p-chlorophenyl)-
CID 81867
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
Cgp53353
CID 6711154
SF-51
CID 1219451

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-aminophenyl)isoindole-1,3-dione (CID 673676) is 2-(2-aminophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-aminophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-aminophenyl)isoindole-1,3-dione is Nc1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-aminophenyl)isoindole-1,3-dione?
The InChIKey is OAJOEZGYYINOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(16)18/h1-8H,15H2.
What are the key properties of 2-(2-aminophenyl)isoindole-1,3-dione?
2-(2-aminophenyl)isoindole-1,3-dione has a molecular weight of 238.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)isoindole-1,3-dione is sourced from PubChem (CID 673676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).