4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

C18H17FN2O2 — CID 10638841

IUPAC4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(F)c2N1
InChIInChI=1S/C18H17FN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22)
InChIKeyAAMLBIYNFUAPCS-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.71
Rot. Bonds4

About 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 10638841) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
PubChem CID10638841
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(F)c2N1
InChIInChI=1S/C18H17FN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22)
InChIKeyAAMLBIYNFUAPCS-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one (CID 10638841) is 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one is O=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(F)c2N1.
What is the InChIKey of 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is AAMLBIYNFUAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22).
What are the key properties of 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 312.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10638841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).