3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione

C11H10BrClN2O2 — CID 81271487

IUPAC3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C11H10BrClN2O2/c1-15-10(16)5-9(11(15)17)14-8-3-2-6(13)4-7(8)12/h2-4,9,14H,5H2,1H3
InChIKeyHUWLQIOGPTWTKG-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.27
Rot. Bonds2

About 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione

3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione (PubChem CID 81271487) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione
PubChem CID81271487
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C11H10BrClN2O2/c1-15-10(16)5-9(11(15)17)14-8-3-2-6(13)4-7(8)12/h2-4,9,14H,5H2,1H3
InChIKeyHUWLQIOGPTWTKG-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-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-(4-chloro-2-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 43411403
3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
CID 60932879
3-(4-bromo-5-fluoro-2-nitroanilino)-1-methylpyrrolidine-2,5-dione
CID 66112047
3-(2,4-dichloroanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636396
3-(4-chloro-2-fluoroanilino)-1-ethylpyrrolidine-2,5-dione
CID 60706396
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114417838
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
CID 81307054
3-(4-chloro-2-iodoanilino)-1-cyclopropylpyrrolidine-2,5-dione
CID 107633485
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-nitrobenzaldehyde
CID 83109058
4-amino-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 104712079
5-amino-2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 79901828

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione (CID 81271487) is 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2ccc(Cl)cc2Br)C1=O.
What is the InChIKey of 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is HUWLQIOGPTWTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-15-10(16)5-9(11(15)17)14-8-3-2-6(13)4-7(8)12/h2-4,9,14H,5H2,1H3.
What are the key properties of 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione?
3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 317.57 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 81271487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).