1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H17BrFNO2 — CID 60976243

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C15H17BrFNO2/c1-9(2)15(3)7-13(19)18(14(15)20)8-10-6-11(16)4-5-12(10)17/h4-6,9H,7-8H2,1-3H3
InChIKeyNCPCBPUSJONEID-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.51
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 60976243) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID60976243
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C15H17BrFNO2/c1-9(2)15(3)7-13(19)18(14(15)20)8-10-6-11(16)4-5-12(10)17/h4-6,9H,7-8H2,1-3H3
InChIKeyNCPCBPUSJONEID-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.51
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-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 60976243) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(Cc2cc(Br)ccc2F)C1=O.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is NCPCBPUSJONEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-9(2)15(3)7-13(19)18(14(15)20)8-10-6-11(16)4-5-12(10)17/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 342.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 60976243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).