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'}

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Related Compounds

3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
CID 65467432
3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione
CID 83077917
3-(2-bromo-4-nitroanilino)pyrrolidine-2,5-dione
CID 107810815
8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84635515
3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43637713
3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 107644178
3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
CID 43637754
2-[(2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637695
3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione
CID 54867459
3-[(5-bromoisoquinolin-1-yl)amino]piperidine-2,6-dione
CID 106538978
3-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637914
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896

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).