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

C12H15FN2O2 — CID 82173231

IUPAC7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC(N)c1cc(F)cc2c1NC(=O)C2C
InChIInChI=1S/C12H15FN2O2/c1-6-8-3-7(13)4-9(10(14)5-17-2)11(8)15-12(6)16/h3-4,6,10H,5,14H2,1-2H3,(H,15,16)
InChIKeyFOHOOOQPNNFARV-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.53
Rot. Bonds3

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

7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173231) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173231
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCOCC(N)c1cc(F)cc2c1NC(=O)C2C
InChIInChI=1S/C12H15FN2O2/c1-6-8-3-7(13)4-9(10(14)5-17-2)11(8)15-12(6)16/h3-4,6,10H,5,14H2,1-2H3,(H,15,16)
InChIKeyFOHOOOQPNNFARV-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.53
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-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 82173231) is 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one is COCC(N)c1cc(F)cc2c1NC(=O)C2C.
What is the InChIKey of 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is FOHOOOQPNNFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-6-8-3-7(13)4-9(10(14)5-17-2)11(8)15-12(6)16/h3-4,6,10H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
7-(1-amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.53, 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-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).