5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione

C25H20N2O3 — CID 43010471

IUPAC5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(C(=O)N3CCc4ccccc43)cc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C25H20N2O3/c28-23(26-15-13-18-8-4-5-9-22(18)26)19-10-11-20-21(16-19)25(30)27(24(20)29)14-12-17-6-2-1-3-7-17/h1-11,16H,12-15H2
InChIKeyMLLIXMRYMKZQJV-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.73
Rot. Bonds4

About 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione

5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione (PubChem CID 43010471) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
PubChem CID43010471
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(C(=O)N3CCc4ccccc43)cc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C25H20N2O3/c28-23(26-15-13-18-8-4-5-9-22(18)26)19-10-11-20-21(16-19)25(30)27(24(20)29)14-12-17-6-2-1-3-7-17/h1-11,16H,12-15H2
InChIKeyMLLIXMRYMKZQJV-UHFFFAOYSA-N
XLogP3.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione (CID 43010471) is 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione is O=C1c2ccc(C(=O)N3CCc4ccccc43)cc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The InChIKey is MLLIXMRYMKZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-23(26-15-13-18-8-4-5-9-22(18)26)19-10-11-20-21(16-19)25(30)27(24(20)29)14-12-17-6-2-1-3-7-17/h1-11,16H,12-15H2.
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione has a molecular weight of 396.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione is sourced from PubChem (CID 43010471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).