1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione

C11H9BrFNO2 — CID 60710742

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFNO2/c12-9-5-8(13)2-1-7(9)6-14-10(15)3-4-11(14)16/h1-2,5H,3-4,6H2
InChIKeyLZHDANADPJISRF-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.24
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione

1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 60710742) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID60710742
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFNO2/c12-9-5-8(13)2-1-7(9)6-14-10(15)3-4-11(14)16/h1-2,5H,3-4,6H2
InChIKeyLZHDANADPJISRF-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.24
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)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione (CID 60710742) is 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is LZHDANADPJISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c12-9-5-8(13)2-1-7(9)6-14-10(15)3-4-11(14)16/h1-2,5H,3-4,6H2.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 286.10 g/mol, XLogP of 2.24, 2 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)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 60710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).