1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione

C10H6BrF2NO2 — CID 102853954

IUPAC1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(Br)c(F)cc2F)C1=O
InChIInChI=1S/C10H6BrF2NO2/c11-5-3-8(7(13)4-6(5)12)14-2-1-9(15)10(14)16/h3-4H,1-2H2
InChIKeyLTUFZJMNTIQBJD-UHFFFAOYSA-N
MW290.06 g/mol
LogP2.03
Rot. Bonds1

About 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione

1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione (PubChem CID 102853954) has the molecular formula C10H6BrF2NO2 and a molecular weight of 290.06 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione
PubChem CID102853954
Molecular FormulaC10H6BrF2NO2
Molecular Weight290.06 g/mol
Exact Mass288.95
IUPAC Name1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(Br)c(F)cc2F)C1=O
InChIInChI=1S/C10H6BrF2NO2/c11-5-3-8(7(13)4-6(5)12)14-2-1-9(15)10(14)16/h3-4H,1-2H2
InChIKeyLTUFZJMNTIQBJD-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-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

1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
CID 102855679
1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
CID 62809349
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276
1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione
CID 79766126
1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
CID 107528742
1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione
CID 81289584
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 65490039
1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione
CID 130486103
1-(5-bromo-4-fluoro-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 107594341
1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
CID 107592762
1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
CID 103479649
1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102855290

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione (CID 102853954) is 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione is O=C1CCN(c2cc(Br)c(F)cc2F)C1=O.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione?
The InChIKey is LTUFZJMNTIQBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO2/c11-5-3-8(7(13)4-6(5)12)14-2-1-9(15)10(14)16/h3-4H,1-2H2.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione?
1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione has a molecular weight of 290.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 102853954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).