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

C13H17FN2O2 — CID 82173277

IUPAC7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(C(N)COC)cc(F)cc21
InChIInChI=1S/C13H17FN2O2/c1-3-8-9-4-7(14)5-10(11(15)6-18-2)12(9)16-13(8)17/h4-5,8,11H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyNUNQEVAPWKBIDF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.92
Rot. Bonds4

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

7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173277) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82173277
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(C(N)COC)cc(F)cc21
InChIInChI=1S/C13H17FN2O2/c1-3-8-9-4-7(14)5-10(11(15)6-18-2)12(9)16-13(8)17/h4-5,8,11H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyNUNQEVAPWKBIDF-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.92
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)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (CID 82173277) is 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(C(N)COC)cc(F)cc21.
What is the InChIKey of 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is NUNQEVAPWKBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-8-9-4-7(14)5-10(11(15)6-18-2)12(9)16-13(8)17/h4-5,8,11H,3,6,15H2,1-2H3,(H,16,17).
What are the key properties of 7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
7-(1-amino-2-methoxyethyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.92, 4 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)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).