2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione

C22H14N2O3 — CID 168517450

IUPAC2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2CN1c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H14N2O3/c25-20-17-6-2-1-5-14(17)13-23(20)15-9-11-16(12-10-15)24-21(26)18-7-3-4-8-19(18)22(24)27/h1-12H,13H2
InChIKeyXUFDGDWXFZWBOZ-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.65
Rot. Bonds2

About 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione (PubChem CID 168517450) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
PubChem CID168517450
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2CN1c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H14N2O3/c25-20-17-6-2-1-5-14(17)13-23(20)15-9-11-16(12-10-15)24-21(26)18-7-3-4-8-19(18)22(24)27/h1-12H,13H2
InChIKeyXUFDGDWXFZWBOZ-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-(4-isocyanatophenyl)-3H-isoindol-1-one
CID 169353440
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
CID 56624959
4-(1,3-dioxoisoindol-2-yl)-3,6-dioxo-5-(3-oxo-1H-isoindol-2-yl)cyclohexa-1,4-diene-1,2-dicarbonitrile
CID 91316415
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
2-(9H-fluoren-2-yl)isoindole-1,3-dione
CID 1331291
4-amino-5-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328731
N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
CID 54858187
2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
CID 25267017
2-stannyl-3H-isoindol-1-one
CID 151195244

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione (CID 168517450) is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2CN1c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione?
The InChIKey is XUFDGDWXFZWBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c25-20-17-6-2-1-5-14(17)13-23(20)15-9-11-16(12-10-15)24-21(26)18-7-3-4-8-19(18)22(24)27/h1-12H,13H2.
What are the key properties of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione?
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione has a molecular weight of 354.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).