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

C12H11BrFNO2 — CID 103500329

IUPAC1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(F)c(Br)c2)C(=O)C1C
InChIInChI=1S/C12H11BrFNO2/c1-6-7(2)12(17)15(11(6)16)8-3-4-10(14)9(13)5-8/h3-7H,1-2H3
InChIKeySMKBWYXQDDLSIX-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.73
Rot. Bonds1

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

1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103500329) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103500329
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2ccc(F)c(Br)c2)C(=O)C1C
InChIInChI=1S/C12H11BrFNO2/c1-6-7(2)12(17)15(11(6)16)8-3-4-10(14)9(13)5-8/h3-7H,1-2H3
InChIKeySMKBWYXQDDLSIX-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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Related Compounds

1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500910
1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500313
1-(3-bromo-4-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 104781847
1-(3-bromo-4-fluorophenyl)-3-methylpiperidin-4-one
CID 104779274
7-(3-bromo-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 104782111
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500279
1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499506
3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
CID 103124142
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
2-(3-bromo-4-fluorophenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 104781843

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103500329) is 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2ccc(F)c(Br)c2)C(=O)C1C.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is SMKBWYXQDDLSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-6-7(2)12(17)15(11(6)16)8-3-4-10(14)9(13)5-8/h3-7H,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(3-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-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103500329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).