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

C17H15BrN2O3 — CID 2858838

IUPAC1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C17H15BrN2O3/c1-23-14-7-5-12(6-8-14)19-15-10-16(21)20(17(15)22)13-4-2-3-11(18)9-13/h2-9,15,19H,10H2,1H3
InChIKeyJJSIMIPWPJRSNZ-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.20
Rot. Bonds4

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

1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 2858838) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID2858838
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C17H15BrN2O3/c1-23-14-7-5-12(6-8-14)19-15-10-16(21)20(17(15)22)13-4-2-3-11(18)9-13/h2-9,15,19H,10H2,1H3
InChIKeyJJSIMIPWPJRSNZ-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-3-(4-methoxyanilino)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

(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
1-(4-iodophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2877177
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 43860822
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione (CID 2858838) is 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(c3cccc(Br)c3)C2=O)cc1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is JJSIMIPWPJRSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-23-14-7-5-12(6-8-14)19-15-10-16(21)20(17(15)22)13-4-2-3-11(18)9-13/h2-9,15,19H,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione?
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 375.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2858838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).