1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione

C17H15BrN2O2 — CID 43844823

IUPAC1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C17H15BrN2O2/c1-11-6-8-12(9-7-11)19-14-10-16(21)20(17(14)22)15-5-3-2-4-13(15)18/h2-9,14,19H,10H2,1H3
InChIKeyIXGJHQOZAFOQKQ-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione

1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 43844823) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
PubChem CID43844823
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C17H15BrN2O2/c1-11-6-8-12(9-7-11)19-14-10-16(21)20(17(14)22)15-5-3-2-4-13(15)18/h2-9,14,19H,10H2,1H3
InChIKeyIXGJHQOZAFOQKQ-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-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

(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
(3S)-1-(2-bromophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 98188346
(3R)-3-(2-bromoanilino)-1-(2-bromophenyl)pyrrolidine-2,5-dione
CID 51860323
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2274438
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione (CID 43844823) is 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione is Cc1ccc(NC2CC(=O)N(c3ccccc3Br)C2=O)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is IXGJHQOZAFOQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-6-8-12(9-7-11)19-14-10-16(21)20(17(14)22)15-5-3-2-4-13(15)18/h2-9,14,19H,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione?
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 359.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).