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

C20H12FNO2 — CID 168517354

IUPAC2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H12FNO2/c21-15-10-8-13(9-11-15)14-4-3-5-16(12-14)22-19(23)17-6-1-2-7-18(17)20(22)24/h1-12H
InChIKeyJQSMZJJHBWQRHZ-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.29
Rot. Bonds2

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

2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione (PubChem CID 168517354) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
PubChem CID168517354
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H12FNO2/c21-15-10-8-13(9-11-15)14-4-3-5-16(12-14)22-19(23)17-6-1-2-7-18(17)20(22)24/h1-12H
InChIKeyJQSMZJJHBWQRHZ-UHFFFAOYSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
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

4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 168519023
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
5-(4-aminophenyl)-2-[4-[4-[3-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]isoindole-1,3-dione
CID 171043367
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]isoindole-1,3-dione
CID 168516694
2-[3-[[3-(1,3-dioxoisoindol-2-yl)phenyl]disulfanyl]phenyl]isoindole-1,3-dione
CID 91745874
2-[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168517652
5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione
CID 118972314

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione (CID 168517354) is 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione?
The InChIKey is JQSMZJJHBWQRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-15-10-8-13(9-11-15)14-4-3-5-16(12-14)22-19(23)17-6-1-2-7-18(17)20(22)24/h1-12H.
What are the key properties of 2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione?
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione has a molecular weight of 317.32 g/mol, XLogP of 4.29, 2 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]isoindole-1,3-dione is sourced from PubChem (CID 168517354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).