3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid

C19H16FNO4 — CID 11609820

IUPAC3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)COC2C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C19H16FNO4/c20-12-3-5-15-14(8-12)17(19(24)21-15)18-13-4-1-10(2-6-16(22)23)7-11(13)9-25-18/h1,3-5,7-8,17-18H,2,6,9H2,(H,21,24)(H,22,23)
InChIKeyDIIRXIRVHOSFLT-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.15
Rot. Bonds4

About 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid

3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid (PubChem CID 11609820) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid
PubChem CID11609820
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)COC2C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C19H16FNO4/c20-12-3-5-15-14(8-12)17(19(24)21-15)18-13-4-1-10(2-6-16(22)23)7-11(13)9-25-18/h1,3-5,7-8,17-18H,2,6,9H2,(H,21,24)(H,22,23)
InChIKeyDIIRXIRVHOSFLT-UHFFFAOYSA-N
XLogP3.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid?
The IUPAC name of 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid (CID 11609820) is 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid is O=C(O)CCc1ccc2c(c1)COC2C1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid?
The InChIKey is DIIRXIRVHOSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c20-12-3-5-15-14(8-12)17(19(24)21-15)18-13-4-1-10(2-6-16(22)23)7-11(13)9-25-18/h1,3-5,7-8,17-18H,2,6,9H2,(H,21,24)(H,22,23).
What are the key properties of 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid?
3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid has a molecular weight of 341.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid is sourced from PubChem (CID 11609820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).