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

C12H11BrFNO2 — CID 61301410

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C12H11BrFNO2/c1-7-4-11(16)15(12(7)17)6-8-5-9(13)2-3-10(8)14/h2-3,5,7H,4,6H2,1H3
InChIKeyWLOSZGZPEHCXSL-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.48
Rot. Bonds2

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

1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61301410) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID61301410
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C12H11BrFNO2/c1-7-4-11(16)15(12(7)17)6-8-5-9(13)2-3-10(8)14/h2-3,5,7H,4,6H2,1H3
InChIKeyWLOSZGZPEHCXSL-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione (CID 61301410) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2cc(Br)ccc2F)C1=O.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is WLOSZGZPEHCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-7-4-11(16)15(12(7)17)6-8-5-9(13)2-3-10(8)14/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 300.13 g/mol, XLogP of 2.48, 2 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61301410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).