2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one

C15H10BrF2NO2 — CID 175615672

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(F)cccc2C(O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF2NO2/c16-9-5-4-8(12(18)6-9)7-19-14(20)10-2-1-3-11(17)13(10)15(19)21/h1-6,14,20H,7H2
InChIKeyTZSLWGGEUXLLKZ-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.37
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one

2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one (PubChem CID 175615672) has the molecular formula C15H10BrF2NO2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one
PubChem CID175615672
Molecular FormulaC15H10BrF2NO2
Molecular Weight354.15 g/mol
Exact Mass352.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2c(F)cccc2C(O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF2NO2/c16-9-5-4-8(12(18)6-9)7-19-14(20)10-2-1-3-11(17)13(10)15(19)21/h1-6,14,20H,7H2
InChIKeyTZSLWGGEUXLLKZ-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one (CID 175615672) is 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one is O=C1c2c(F)cccc2C(O)N1Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one?
The InChIKey is TZSLWGGEUXLLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO2/c16-9-5-4-8(12(18)6-9)7-19-14(20)10-2-1-3-11(17)13(10)15(19)21/h1-6,14,20H,7H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one?
2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one has a molecular weight of 354.15 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 175615672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).