6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one

C13H11FN2O2 — CID 16771645

IUPAC6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ccco1
InChIInChI=1S/C13H11FN2O2/c14-8-3-4-10-11(6-8)16-13(17)12(10)15-7-9-2-1-5-18-9/h1-6,12,15H,7H2,(H,16,17)
InChIKeyDJCLLOQYTWQIPA-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.20
Rot. Bonds3

About 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one

6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 16771645) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID16771645
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCc1ccco1
InChIInChI=1S/C13H11FN2O2/c14-8-3-4-10-11(6-8)16-13(17)12(10)15-7-9-2-1-5-18-9/h1-6,12,15H,7H2,(H,16,17)
InChIKeyDJCLLOQYTWQIPA-UHFFFAOYSA-N
XLogP2.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one (CID 16771645) is 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCc1ccco1.
What is the InChIKey of 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is DJCLLOQYTWQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-8-3-4-10-11(6-8)16-13(17)12(10)15-7-9-2-1-5-18-9/h1-6,12,15H,7H2,(H,16,17).
What are the key properties of 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one?
6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 246.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 16771645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).