3-(3-fluoro-4-phenylphenyl)isoindol-1-one

C20H12FNO — CID 68512202

IUPAC3-(3-fluoro-4-phenylphenyl)isoindol-1-one
SMILESO=C1N=C(c2ccc(-c3ccccc3)c(F)c2)c2ccccc21
InChIInChI=1S/C20H12FNO/c21-18-12-14(10-11-15(18)13-6-2-1-3-7-13)19-16-8-4-5-9-17(16)20(23)22-19/h1-12H
InChIKeyBGZZVUIQFHEEMP-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.48
Rot. Bonds2

About 3-(3-fluoro-4-phenylphenyl)isoindol-1-one

3-(3-fluoro-4-phenylphenyl)isoindol-1-one (PubChem CID 68512202) has the molecular formula C20H12FNO and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-phenylphenyl)isoindol-1-one.

Molecular Properties

Compound Name3-(3-fluoro-4-phenylphenyl)isoindol-1-one
PubChem CID68512202
Molecular FormulaC20H12FNO
Molecular Weight301.32 g/mol
Exact Mass301.09
IUPAC Name3-(3-fluoro-4-phenylphenyl)isoindol-1-one
SMILESO=C1N=C(c2ccc(-c3ccccc3)c(F)c2)c2ccccc21
InChIInChI=1S/C20H12FNO/c21-18-12-14(10-11-15(18)13-6-2-1-3-7-13)19-16-8-4-5-9-17(16)20(23)22-19/h1-12H
InChIKeyBGZZVUIQFHEEMP-UHFFFAOYSA-N
XLogP4.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-phenylphenyl)isoindol-1-one?
The IUPAC name of 3-(3-fluoro-4-phenylphenyl)isoindol-1-one (CID 68512202) is 3-(3-fluoro-4-phenylphenyl)isoindol-1-one.
What is the SMILES notation for 3-(3-fluoro-4-phenylphenyl)isoindol-1-one?
The canonical SMILES for 3-(3-fluoro-4-phenylphenyl)isoindol-1-one is O=C1N=C(c2ccc(-c3ccccc3)c(F)c2)c2ccccc21.
What is the InChIKey of 3-(3-fluoro-4-phenylphenyl)isoindol-1-one?
The InChIKey is BGZZVUIQFHEEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO/c21-18-12-14(10-11-15(18)13-6-2-1-3-7-13)19-16-8-4-5-9-17(16)20(23)22-19/h1-12H.
What are the key properties of 3-(3-fluoro-4-phenylphenyl)isoindol-1-one?
3-(3-fluoro-4-phenylphenyl)isoindol-1-one has a molecular weight of 301.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-phenylphenyl)isoindol-1-one is sourced from PubChem (CID 68512202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).