3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C21H19N3O4 — CID 168560311

IUPAC3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2C(=O)N2CCc3ccccc32)C(=O)N1CCO
InChIInChI=1S/C21H19N3O4/c25-12-11-24-19(26)13-17(21(24)28)22-16-7-3-2-6-15(16)20(27)23-10-9-14-5-1-4-8-18(14)23/h1-8,13,22,25H,9-12H2
InChIKeyFFINSXZAVVVXAT-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.55
Rot. Bonds5

About 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168560311) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168560311
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2C(=O)N2CCc3ccccc32)C(=O)N1CCO
InChIInChI=1S/C21H19N3O4/c25-12-11-24-19(26)13-17(21(24)28)22-16-7-3-2-6-15(16)20(27)23-10-9-14-5-1-4-8-18(14)23/h1-8,13,22,25H,9-12H2
InChIKeyFFINSXZAVVVXAT-UHFFFAOYSA-N
XLogP1.55
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-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

1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
CID 168559702
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone
CID 168597159
1-(2-hydroxyethyl)-3-[2-[(4-methylphenyl)methylsulfanyl]anilino]pyrrole-2,5-dione
CID 168556340
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonic acid
CID 168556010
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate
CID 168557913

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168560311) is 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=C(Nc2ccccc2C(=O)N2CCc3ccccc32)C(=O)N1CCO.
What is the InChIKey of 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is FFINSXZAVVVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-12-11-24-19(26)13-17(21(24)28)22-16-7-3-2-6-15(16)20(27)23-10-9-14-5-1-4-8-18(14)23/h1-8,13,22,25H,9-12H2.
What are the key properties of 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 377.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168560311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).