3-(2,6-dibromoanilino)pyrrolidine-2,5-dione

C10H8Br2N2O2 — CID 107598662

IUPAC3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2c(Br)cccc2Br)C(=O)N1
InChIInChI=1S/C10H8Br2N2O2/c11-5-2-1-3-6(12)9(5)13-7-4-8(15)14-10(7)16/h1-3,7,13H,4H2,(H,14,15,16)
InChIKeyKBVXDCFCFGJODD-UHFFFAOYSA-N
MW347.99 g/mol
LogP2.04
Rot. Bonds2

About 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione

3-(2,6-dibromoanilino)pyrrolidine-2,5-dione (PubChem CID 107598662) has the molecular formula C10H8Br2N2O2 and a molecular weight of 347.99 g/mol. Its IUPAC name is 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
PubChem CID107598662
Molecular FormulaC10H8Br2N2O2
Molecular Weight347.99 g/mol
Exact Mass345.90
IUPAC Name3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2c(Br)cccc2Br)C(=O)N1
InChIInChI=1S/C10H8Br2N2O2/c11-5-2-1-3-6(12)9(5)13-7-4-8(15)14-10(7)16/h1-3,7,13H,4H2,(H,14,15,16)
InChIKeyKBVXDCFCFGJODD-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,6-dibromoanilino)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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione (CID 107598662) is 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2c(Br)cccc2Br)C(=O)N1.
What is the InChIKey of 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione?
The InChIKey is KBVXDCFCFGJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O2/c11-5-2-1-3-6(12)9(5)13-7-4-8(15)14-10(7)16/h1-3,7,13H,4H2,(H,14,15,16).
What are the key properties of 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione?
3-(2,6-dibromoanilino)pyrrolidine-2,5-dione has a molecular weight of 347.99 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromoanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 107598662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).