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

C22H14FNO4 — CID 1217719

IUPAC2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
SMILESO=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C22H14FNO4/c23-15-11-9-14(10-12-15)19(25)13-28-20-8-4-3-7-18(20)24-21(26)16-5-1-2-6-17(16)22(24)27/h1-12H,13H2
InChIKeyKPWRYCZHFKMDAW-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.89
Rot. Bonds5

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

2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione (PubChem CID 1217719) has the molecular formula C22H14FNO4 and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
PubChem CID1217719
Molecular FormulaC22H14FNO4
Molecular Weight375.36 g/mol
Exact Mass375.09
IUPAC Name2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
SMILESO=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C22H14FNO4/c23-15-11-9-14(10-12-15)19(25)13-28-20-8-4-3-7-18(20)24-21(26)16-5-1-2-6-17(16)22(24)27/h1-12H,13H2
InChIKeyKPWRYCZHFKMDAW-UHFFFAOYSA-N
XLogP3.89
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aS,7aS)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2292884
(1R,2S,6S,7R,8S,10S)-4-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98124150
2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2919504
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
2-[2-(2,2-difluoroethoxy)phenyl]isoindole-1,3-dione
CID 168516856
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
(1R,2S,6R,7R)-4-[2-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98151308
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712874
(1S,2S,6R,7R)-4-[2-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 41039080
[2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363316
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
(1R,2S,6S,7S)-4-[2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6554881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione (CID 1217719) is 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione is O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
The InChIKey is KPWRYCZHFKMDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO4/c23-15-11-9-14(10-12-15)19(25)13-28-20-8-4-3-7-18(20)24-21(26)16-5-1-2-6-17(16)22(24)27/h1-12H,13H2.
What are the key properties of 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione?
2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione has a molecular weight of 375.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 1217719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).