6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one

C14H13FN2O2 — CID 43535493

IUPAC6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2cc(F)ccc21)c1ccco1
InChIInChI=1S/C14H13FN2O2/c1-8(12-3-2-6-19-12)16-13-10-5-4-9(15)7-11(10)17-14(13)18/h2-8,13,16H,1H3,(H,17,18)
InChIKeyJLDPTKFRVHYGLU-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.76
Rot. Bonds3

About 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one

6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43535493) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43535493
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2cc(F)ccc21)c1ccco1
InChIInChI=1S/C14H13FN2O2/c1-8(12-3-2-6-19-12)16-13-10-5-4-9(15)7-11(10)17-14(13)18/h2-8,13,16H,1H3,(H,17,18)
InChIKeyJLDPTKFRVHYGLU-UHFFFAOYSA-N
XLogP2.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one (CID 43535493) is 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2cc(F)ccc21)c1ccco1.
What is the InChIKey of 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is JLDPTKFRVHYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8(12-3-2-6-19-12)16-13-10-5-4-9(15)7-11(10)17-14(13)18/h2-8,13,16H,1H3,(H,17,18).
What are the key properties of 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one?
6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 260.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43535493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).