1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H17BrFNO2 — CID 107592705

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1cc(F)c(Br)cc1N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C15H17BrFNO2/c1-8(2)15(4)7-13(19)18(14(15)20)12-6-10(16)11(17)5-9(12)3/h5-6,8H,7H2,1-4H3
InChIKeySCQDUDKXVIHEDT-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.82
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 107592705) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID107592705
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1cc(F)c(Br)cc1N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C15H17BrFNO2/c1-8(2)15(4)7-13(19)18(14(15)20)12-6-10(16)11(17)5-9(12)3/h5-6,8H,7H2,1-4H3
InChIKeySCQDUDKXVIHEDT-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.82
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-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 107592705) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is Cc1cc(F)c(Br)cc1N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is SCQDUDKXVIHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-8(2)15(4)7-13(19)18(14(15)20)12-6-10(16)11(17)5-9(12)3/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 342.21 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 107592705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).