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

C12H11BrFNO2 — CID 14181828

IUPAC3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)CC(Br)C2=O)cc1F
InChIInChI=1S/C12H11BrFNO2/c1-6-3-7(2)10(5-9(6)14)15-11(16)4-8(13)12(15)17/h3,5,8H,4H2,1-2H3
InChIKeyWXXDZCDRRBAWDG-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.47
Rot. Bonds1

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

3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 14181828) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID14181828
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)CC(Br)C2=O)cc1F
InChIInChI=1S/C12H11BrFNO2/c1-6-3-7(2)10(5-9(6)14)15-11(16)4-8(13)12(15)17/h3,5,8H,4H2,1-2H3
InChIKeyWXXDZCDRRBAWDG-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione (CID 14181828) is 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(C)c(N2C(=O)CC(Br)C2=O)cc1F.
What is the InChIKey of 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is WXXDZCDRRBAWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-6-3-7(2)10(5-9(6)14)15-11(16)4-8(13)12(15)17/h3,5,8H,4H2,1-2H3.
What are the key properties of 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione?
3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 300.13 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 14181828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).