2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one

C15H11BrFNO2 — CID 141210922

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1cc(Br)ccc1F
InChIInChI=1S/C15H11BrFNO2/c16-10-5-6-13(17)9(7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7,14,19H,8H2
InChIKeyGYSZMWHESWREJS-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.24
Rot. Bonds2

About 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one

2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 141210922) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID141210922
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1cc(Br)ccc1F
InChIInChI=1S/C15H11BrFNO2/c16-10-5-6-13(17)9(7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7,14,19H,8H2
InChIKeyGYSZMWHESWREJS-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one (CID 141210922) is 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is GYSZMWHESWREJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c16-10-5-6-13(17)9(7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7,14,19H,8H2.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 336.16 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 141210922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).