3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione

C13H14Cl2N2O2 — CID 43636396

IUPAC3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-7(2)17-12(18)6-11(13(17)19)16-10-4-3-8(14)5-9(10)15/h3-5,7,11,16H,6H2,1-2H3
InChIKeyGHJRGJKBRDFPFD-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.94
Rot. Bonds3

About 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43636396) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43636396
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C13H14Cl2N2O2/c1-7(2)17-12(18)6-11(13(17)19)16-10-4-3-8(14)5-9(10)15/h3-5,7,11,16H,6H2,1-2H3
InChIKeyGHJRGJKBRDFPFD-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-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

3-(2,4-dichloroanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844459
(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188112
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 71970963
3-(3-chloro-5-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 107364701
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
3-(3-bromo-4-fluoroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 104776646
3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 61043290
6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
3-(2-ethoxy-4-methylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 60934337
3-(4-chloro-2-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 43411403
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
CID 43636189

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 43636396) is 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is GHJRGJKBRDFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-7(2)17-12(18)6-11(13(17)19)16-10-4-3-8(14)5-9(10)15/h3-5,7,11,16H,6H2,1-2H3.
What are the key properties of 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 301.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).