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

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Related Compounds

5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 78802542
5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 51293162
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
5-bromo-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 30429389
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide
CID 41305590
propan-2-yl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 27000100
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
2-oxopropyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 2484796
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate
CID 42898237
5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-phenylethyl)isoindole-1,3-dione
CID 172640834

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).