2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione

C21H14FNO3 — CID 168519023

IUPAC2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1F
InChIInChI=1S/C21H14FNO3/c1-26-19-10-9-14(12-18(19)22)13-5-4-6-15(11-13)23-20(24)16-7-2-3-8-17(16)21(23)25/h2-12H,1H3
InChIKeyUBQQFPQWVOREDM-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.30
Rot. Bonds3

About 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione

2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione (PubChem CID 168519023) has the molecular formula C21H14FNO3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
PubChem CID168519023
Molecular FormulaC21H14FNO3
Molecular Weight347.35 g/mol
Exact Mass347.10
IUPAC Name2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1F
InChIInChI=1S/C21H14FNO3/c1-26-19-10-9-14(12-18(19)22)13-5-4-6-15(11-13)23-20(24)16-7-2-3-8-17(16)21(23)25/h2-12H,1H3
InChIKeyUBQQFPQWVOREDM-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
CID 168514944
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 46814187
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
2-(3-methoxy-4-methylsulfanylphenyl)isoindole-1,3-dione
CID 168519200
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168517652

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione (CID 168519023) is 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione is COc1ccc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione?
The InChIKey is UBQQFPQWVOREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO3/c1-26-19-10-9-14(12-18(19)22)13-5-4-6-15(11-13)23-20(24)16-7-2-3-8-17(16)21(23)25/h2-12H,1H3.
What are the key properties of 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione?
2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione has a molecular weight of 347.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).