2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione

C22H15NO3 — CID 11336777

IUPAC2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccccc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15NO3/c24-20(15-8-2-1-3-9-15)17-11-5-4-10-16(17)14-23-21(25)18-12-6-7-13-19(18)22(23)26/h1-13H,14H2
InChIKeyCLNNCVILFVGFBY-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.71
Rot. Bonds4

About 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione

2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione (PubChem CID 11336777) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione
PubChem CID11336777
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccccc1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15NO3/c24-20(15-8-2-1-3-9-15)17-11-5-4-10-16(17)14-23-21(25)18-12-6-7-13-19(18)22(23)26/h1-13H,14H2
InChIKeyCLNNCVILFVGFBY-UHFFFAOYSA-N
XLogP3.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-benzoylphenyl)methyl]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-[(3-benzoyl-2-sulfanylidene-1H-pyridin-4-yl)methyl]isoindole-1,3-dione
CID 23249584
cyclopropyl 2-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 123444517
2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione
CID 23247841
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
2-[[4-(2-benzoylphenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione
CID 21496129
5-bromo-2-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid
CID 11152598
2-[(2,3-dioxoindol-1-yl)methyl]benzoic acid
CID 43415538
2-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 69277932
2-[(2-benzoylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
CID 118596981
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959211

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione (CID 11336777) is 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione is O=C(c1ccccc1)c1ccccc1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is CLNNCVILFVGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-20(15-8-2-1-3-9-15)17-11-5-4-10-16(17)14-23-21(25)18-12-6-7-13-19(18)22(23)26/h1-13H,14H2.
What are the key properties of 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione?
2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 341.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 11336777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).