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

C15H9BrFNO2 — CID 2773365

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H9BrFNO2/c16-10-6-5-9(13(17)7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKeyUMYSNUBQOISARG-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.38
Rot. Bonds2

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

2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 2773365) has the molecular formula C15H9BrFNO2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID2773365
Molecular FormulaC15H9BrFNO2
Molecular Weight334.14 g/mol
Exact Mass332.98
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H9BrFNO2/c16-10-6-5-9(13(17)7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKeyUMYSNUBQOISARG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione (CID 2773365) is 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is UMYSNUBQOISARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2/c16-10-6-5-9(13(17)7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione?
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 334.14 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2773365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).