5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one

C15H15BrN2O3 — CID 79342580

IUPAC5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OCc3ccco3)c(Br)cc21
InChIInChI=1S/C15H15BrN2O3/c1-2-17-14-10-6-11(16)13(7-12(10)18-15(14)19)21-8-9-4-3-5-20-9/h3-7,14,17H,2,8H2,1H3,(H,18,19)
InChIKeyHYNZEEYGOFWATQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one (PubChem CID 79342580) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one
PubChem CID79342580
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OCc3ccco3)c(Br)cc21
InChIInChI=1S/C15H15BrN2O3/c1-2-17-14-10-6-11(16)13(7-12(10)18-15(14)19)21-8-9-4-3-5-20-9/h3-7,14,17H,2,8H2,1H3,(H,18,19)
InChIKeyHYNZEEYGOFWATQ-UHFFFAOYSA-N
XLogP3.22
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one (CID 79342580) is 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OCc3ccco3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one?
The InChIKey is HYNZEEYGOFWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-2-17-14-10-6-11(16)13(7-12(10)18-15(14)19)21-8-9-4-3-5-20-9/h3-7,14,17H,2,8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one has a molecular weight of 351.20 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-(furan-2-ylmethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).