7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one

C11H13FN2O2 — CID 82173185

IUPAC7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESCOCC(N)c1cc(F)cc2c1NC(=O)C2
InChIInChI=1S/C11H13FN2O2/c1-16-5-9(13)8-4-7(12)2-6-3-10(15)14-11(6)8/h2,4,9H,3,5,13H2,1H3,(H,14,15)
InChIKeyLIXGHAQZTAGKMV-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.97
Rot. Bonds3

About 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one

7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173185) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82173185
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESCOCC(N)c1cc(F)cc2c1NC(=O)C2
InChIInChI=1S/C11H13FN2O2/c1-16-5-9(13)8-4-7(12)2-6-3-10(15)14-11(6)8/h2,4,9H,3,5,13H2,1H3,(H,14,15)
InChIKeyLIXGHAQZTAGKMV-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one (CID 82173185) is 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one is COCC(N)c1cc(F)cc2c1NC(=O)C2.
What is the InChIKey of 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is LIXGHAQZTAGKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-5-9(13)8-4-7(12)2-6-3-10(15)14-11(6)8/h2,4,9H,3,5,13H2,1H3,(H,14,15).
What are the key properties of 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one?
7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 224.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).