3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione

C10H3Cl4NO2 — CID 716793

IUPAC3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H3Cl4NO2/c11-4-1-2-6(5(12)3-4)15-9(16)7(13)8(14)10(15)17/h1-3H
InChIKeySREQYVJAJAEYBN-UHFFFAOYSA-N
MW310.95 g/mol
LogP3.56
Rot. Bonds1

About 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione

3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione (PubChem CID 716793) has the molecular formula C10H3Cl4NO2 and a molecular weight of 310.95 g/mol. Its IUPAC name is 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione
PubChem CID716793
Molecular FormulaC10H3Cl4NO2
Molecular Weight310.95 g/mol
Exact Mass308.89
IUPAC Name3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H3Cl4NO2/c11-4-1-2-6(5(12)3-4)15-9(16)7(13)8(14)10(15)17/h1-3H
InChIKeySREQYVJAJAEYBN-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.95
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-1-(2,4-dichlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione (CID 716793) is 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione?
The InChIKey is SREQYVJAJAEYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl4NO2/c11-4-1-2-6(5(12)3-4)15-9(16)7(13)8(14)10(15)17/h1-3H.
What are the key properties of 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione?
3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione has a molecular weight of 310.95 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(2,4-dichlorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 716793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).