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

C12H9Cl3N2O2 — CID 779754

IUPAC3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione
SMILESCN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C12H9Cl3N2O2/c1-16(2)10-9(15)11(18)17(12(10)19)6-3-4-7(13)8(14)5-6/h3-5H,1-2H3
InChIKeyUJVSRUOVYSHYAG-UHFFFAOYSA-N
MW319.58 g/mol
LogP2.88
Rot. Bonds2

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

3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione (PubChem CID 779754) has the molecular formula C12H9Cl3N2O2 and a molecular weight of 319.58 g/mol. Its IUPAC name is 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione
PubChem CID779754
Molecular FormulaC12H9Cl3N2O2
Molecular Weight319.58 g/mol
Exact Mass317.97
IUPAC Name3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione
SMILESCN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C12H9Cl3N2O2/c1-16(2)10-9(15)11(18)17(12(10)19)6-3-4-7(13)8(14)5-6/h3-5H,1-2H3
InChIKeyUJVSRUOVYSHYAG-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)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-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione (CID 779754) is 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione is CN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione?
The InChIKey is UJVSRUOVYSHYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2/c1-16(2)10-9(15)11(18)17(12(10)19)6-3-4-7(13)8(14)5-6/h3-5H,1-2H3.
What are the key properties of 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione?
3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione has a molecular weight of 319.58 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 779754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).