2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione

C15H9ClFNO2 — CID 2773635

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-13-7-10(17)6-5-9(13)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKeyHGGUDUBJEAPYRO-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.28
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione

2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 2773635) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID2773635
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-13-7-10(17)6-5-9(13)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKeyHGGUDUBJEAPYRO-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 19583337
2-[(2-chloro-4-fluorophenyl)methyl]-4-nitroisoindole-1,3-dione
CID 2460910
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]isoindole-1,3-dione
CID 131057841
methyl 2-[3-chloro-4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 12988819
5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
CID 102616030
2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 102621745
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione
CID 44668958
2-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]isoindole-1,3-dione
CID 162374915
2-[4-(2-chloro-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112787288
1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 41070149

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione (CID 2773635) is 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is HGGUDUBJEAPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-13-7-10(17)6-5-9(13)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione?
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 289.69 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2773635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).