1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione

C12H11BrFNO2 — CID 103500274

IUPAC1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(F)cc2Br)C(=O)C1C
InChIInChI=1S/C12H11BrFNO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(14)5-9(10)13/h3-7H,1-2H3
InChIKeyQUMXKUIZFREINN-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.73
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103500274) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103500274
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(F)cc2Br)C(=O)C1C
InChIInChI=1S/C12H11BrFNO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(14)5-9(10)13/h3-7H,1-2H3
InChIKeyQUMXKUIZFREINN-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103500274) is 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2ccc(F)cc2Br)C(=O)C1C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is QUMXKUIZFREINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(14)5-9(10)13/h3-7H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 300.13 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103500274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).