5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one

C13H15FN2O2 — CID 43196336

IUPAC5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1NCC1CCCO1
InChIInChI=1S/C13H15FN2O2/c14-8-3-4-11-10(6-8)12(13(17)16-11)15-7-9-2-1-5-18-9/h3-4,6,9,12,15H,1-2,5,7H2,(H,16,17)
InChIKeyYAXXAKHALDKJDJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.59
Rot. Bonds3

About 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one

5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 43196336) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID43196336
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1NCC1CCCO1
InChIInChI=1S/C13H15FN2O2/c14-8-3-4-11-10(6-8)12(13(17)16-11)15-7-9-2-1-5-18-9/h3-4,6,9,12,15H,1-2,5,7H2,(H,16,17)
InChIKeyYAXXAKHALDKJDJ-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one (CID 43196336) is 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1NCC1CCCO1.
What is the InChIKey of 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is YAXXAKHALDKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-8-3-4-11-10(6-8)12(13(17)16-11)15-7-9-2-1-5-18-9/h3-4,6,9,12,15H,1-2,5,7H2,(H,16,17).
What are the key properties of 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one?
5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(oxolan-2-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43196336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).