3-(2,6-dichloroanilino)pyrrolidine-2,5-dione

C10H8Cl2N2O2 — CID 65467432

IUPAC3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2c(Cl)cccc2Cl)C(=O)N1
InChIInChI=1S/C10H8Cl2N2O2/c11-5-2-1-3-6(12)9(5)13-7-4-8(15)14-10(7)16/h1-3,7,13H,4H2,(H,14,15,16)
InChIKeyXZOWUBHRJAUQTL-UHFFFAOYSA-N
MW259.09 g/mol
LogP1.82
Rot. Bonds2

About 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione

3-(2,6-dichloroanilino)pyrrolidine-2,5-dione (PubChem CID 65467432) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
PubChem CID65467432
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2c(Cl)cccc2Cl)C(=O)N1
InChIInChI=1S/C10H8Cl2N2O2/c11-5-2-1-3-6(12)9(5)13-7-4-8(15)14-10(7)16/h1-3,7,13H,4H2,(H,14,15,16)
InChIKeyXZOWUBHRJAUQTL-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione (CID 65467432) is 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2c(Cl)cccc2Cl)C(=O)N1.
What is the InChIKey of 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione?
The InChIKey is XZOWUBHRJAUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-5-2-1-3-6(12)9(5)13-7-4-8(15)14-10(7)16/h1-3,7,13H,4H2,(H,14,15,16).
What are the key properties of 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione?
3-(2,6-dichloroanilino)pyrrolidine-2,5-dione has a molecular weight of 259.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 65467432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).