2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione

C15H9BrFNO2 — CID 11688576

IUPAC2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)ccc1CBr
InChIInChI=1S/C15H9BrFNO2/c16-8-9-5-6-10(17)7-13(9)18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKeyUIMZDQHPDZSVBE-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.52
Rot. Bonds2

About 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione

2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione (PubChem CID 11688576) has the molecular formula C15H9BrFNO2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
PubChem CID11688576
Molecular FormulaC15H9BrFNO2
Molecular Weight334.14 g/mol
Exact Mass332.98
IUPAC Name2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)ccc1CBr
InChIInChI=1S/C15H9BrFNO2/c16-8-9-5-6-10(17)7-13(9)18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKeyUIMZDQHPDZSVBE-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(bromomethyl)-2,3-dichlorophenyl]isoindole-1,3-dione
CID 19870965
2-(2-ethylphenyl)-5-fluoroisoindole-1,3-dione
CID 70261734
2-(4-fluoro-2-methylphenyl)isoquinoline-1,3,4-trione
CID 101438439
2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione
CID 168518069
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
CID 168517272
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
CID 168519285
2-(3-bromo-2-methylphenyl)-5-fluoroisoindole-1,3-dione
CID 59375008
2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
CID 1103022
2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione
CID 14071293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione (CID 11688576) is 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(F)ccc1CBr.
What is the InChIKey of 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione?
The InChIKey is UIMZDQHPDZSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2/c16-8-9-5-6-10(17)7-13(9)18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2.
What are the key properties of 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione?
2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione has a molecular weight of 334.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione is sourced from PubChem (CID 11688576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).