2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione

C22H16N2O3 — CID 23247841

IUPAC2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1cccnc1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H16N2O3/c25-20(15-7-2-1-3-8-15)18-11-6-13-23-19(18)12-14-24-21(26)16-9-4-5-10-17(16)22(24)27/h1-11,13H,12,14H2
InChIKeyOXHQFBPPJFLOTO-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione

2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione (PubChem CID 23247841) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione
PubChem CID23247841
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1cccnc1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H16N2O3/c25-20(15-7-2-1-3-8-15)18-11-6-13-23-19(18)12-14-24-21(26)16-9-4-5-10-17(16)22(24)27/h1-11,13H,12,14H2
InChIKeyOXHQFBPPJFLOTO-UHFFFAOYSA-N
XLogP3.15
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-benzoyl-2-pyridinyl)ethyl]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-[(2-benzoylphenyl)methyl]isoindole-1,3-dione
CID 11336777
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride
CID 19079193
2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
CID 53403480
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenylsulfanylpyridine-3-carboxylate
CID 16515071
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-(1,3-dioxoisoindol-2-yl)butyl 2-chloropyridine-3-carboxylate
CID 46790903
2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione
CID 146550400
2-[2-(5-methyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione
CID 19775949
2-[[4-[2-benzoyl-6-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione
CID 154320699
2-[[4-(2-benzoylphenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione
CID 21496129
2-[2-(2-phenacyltetrazol-5-yl)ethyl]isoindole-1,3-dione
CID 8520064

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione (CID 23247841) is 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione is O=C(c1ccccc1)c1cccnc1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione?
The InChIKey is OXHQFBPPJFLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-20(15-7-2-1-3-8-15)18-11-6-13-23-19(18)12-14-24-21(26)16-9-4-5-10-17(16)22(24)27/h1-11,13H,12,14H2.
What are the key properties of 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione?
2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione has a molecular weight of 356.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 23247841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).