6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one

C21H16F2N2O2 — CID 171735581

IUPAC6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one
SMILESCC(Oc1cc2c(cc1-c1ccc(F)cc1F)C(=O)NC2)c1ccncc1
InChIInChI=1S/C21H16F2N2O2/c1-12(13-4-6-24-7-5-13)27-20-8-14-11-25-21(26)17(14)10-18(20)16-3-2-15(22)9-19(16)23/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyQNJMROGFLZUBKO-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.41
Rot. Bonds4

About 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one

6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one (PubChem CID 171735581) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one
PubChem CID171735581
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one
SMILESCC(Oc1cc2c(cc1-c1ccc(F)cc1F)C(=O)NC2)c1ccncc1
InChIInChI=1S/C21H16F2N2O2/c1-12(13-4-6-24-7-5-13)27-20-8-14-11-25-21(26)17(14)10-18(20)16-3-2-15(22)9-19(16)23/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyQNJMROGFLZUBKO-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-difluorophenyl)-5-(1-ethylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
CID 171097851
6-(4-fluorophenyl)-5-(1-pyridin-4-ylazetidin-3-yl)oxy-2,3-dihydroisoindol-1-one
CID 171735582
6-(2,4-difluorophenyl)-5-[1,1,2,2-tetradeuterio-2-(2-methylpyrazol-3-yl)ethyl]-2,3-dihydroisoindol-1-one
CID 177306792
3-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]-2-fluorobenzonitrile
CID 171097900
5-(1-tert-butylazetidin-3-yl)oxy-6-(4-fluorophenyl)-2,3-dihydroisoindol-1-one
CID 175802978
6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 153301418
5-[5-[2-(2,4-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-2,3-dihydroisoindol-1-one
CID 58244205
N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 171097829
[6-(4-fluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl] trifluoromethanesulfonate
CID 165135959
5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
CID 140925375
4-(2,4-difluorophenyl)pyridine
CID 45036856
6-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717751

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one (CID 171735581) is 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one is CC(Oc1cc2c(cc1-c1ccc(F)cc1F)C(=O)NC2)c1ccncc1.
What is the InChIKey of 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one?
The InChIKey is QNJMROGFLZUBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c1-12(13-4-6-24-7-5-13)27-20-8-14-11-25-21(26)17(14)10-18(20)16-3-2-15(22)9-19(16)23/h2-10,12H,11H2,1H3,(H,25,26).
What are the key properties of 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one?
6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one has a molecular weight of 366.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-5-(1-pyridin-4-ylethoxy)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 171735581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).