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

C21H14FNO2 — CID 174552693

IUPAC2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H14FNO2/c22-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-23-20(24)18-6-1-2-7-19(18)21(23)25/h1-12H,13H2
InChIKeyHOAGARWRJFFMHY-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.29
Rot. Bonds3

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

2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione (PubChem CID 174552693) has the molecular formula C21H14FNO2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
PubChem CID174552693
Molecular FormulaC21H14FNO2
Molecular Weight331.35 g/mol
Exact Mass331.10
IUPAC Name2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H14FNO2/c22-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-23-20(24)18-6-1-2-7-19(18)21(23)25/h1-12H,13H2
InChIKeyHOAGARWRJFFMHY-UHFFFAOYSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.29
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-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]isoindole-1,3-dione
CID 137333040
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
CID 50878146
4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
methyl 3-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]benzoate
CID 20601400
3-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]propanoic acid
CID 18790661
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
2-[[3-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 67138981

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione (CID 174552693) is 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione?
The InChIKey is HOAGARWRJFFMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO2/c22-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-23-20(24)18-6-1-2-7-19(18)21(23)25/h1-12H,13H2.
What are the key properties of 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione?
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione has a molecular weight of 331.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 174552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).