3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one

C22H18FNO2 — CID 2898311

IUPAC3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H18FNO2/c23-18-12-10-17(11-13-18)15-24-21(25)19-8-4-5-9-20(19)22(24,26)14-16-6-2-1-3-7-16/h1-13,26H,14-15H2
InChIKeyHKQOUEHYCHFBPJ-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.87
Rot. Bonds4

About 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one

3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one (PubChem CID 2898311) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one
PubChem CID2898311
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H18FNO2/c23-18-12-10-17(11-13-18)15-24-21(25)19-8-4-5-9-20(19)22(24,26)14-16-6-2-1-3-7-16/h1-13,26H,14-15H2
InChIKeyHKQOUEHYCHFBPJ-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-Cyclopropyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 2971914
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
3-Benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
CID 623769
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856
2-[2-(2-Fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
CID 3237528
US11078186, Example 87
CID 149037518
3-Hydroxy-3-phenyl-2-(2-phenylethyl)-1-isoindolinone
CID 2974992
2-Benzyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 744607

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one?
The IUPAC name of 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one (CID 2898311) is 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one.
What is the SMILES notation for 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one?
The canonical SMILES for 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one is O=C1c2ccccc2C(O)(Cc2ccccc2)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one?
The InChIKey is HKQOUEHYCHFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c23-18-12-10-17(11-13-18)15-24-21(25)19-8-4-5-9-20(19)22(24,26)14-16-6-2-1-3-7-16/h1-13,26H,14-15H2.
What are the key properties of 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one?
3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one has a molecular weight of 347.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-one is sourced from PubChem (CID 2898311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).