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

C15H19BrN2O3 — CID 79343293

IUPAC5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OCC3CCOC3)c(Br)cc21
InChIInChI=1S/C15H19BrN2O3/c1-2-17-14-10-5-11(16)13(6-12(10)18-15(14)19)21-8-9-3-4-20-7-9/h5-6,9,14,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyMDTNFLXJUMFIKB-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.47
Rot. Bonds5

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

5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one (PubChem CID 79343293) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one
PubChem CID79343293
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OCC3CCOC3)c(Br)cc21
InChIInChI=1S/C15H19BrN2O3/c1-2-17-14-10-5-11(16)13(6-12(10)18-15(14)19)21-8-9-3-4-20-7-9/h5-6,9,14,17H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyMDTNFLXJUMFIKB-UHFFFAOYSA-N
XLogP2.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.47
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-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one (CID 79343293) is 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OCC3CCOC3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one?
The InChIKey is MDTNFLXJUMFIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-17-14-10-5-11(16)13(6-12(10)18-15(14)19)21-8-9-3-4-20-7-9/h5-6,9,14,17H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one has a molecular weight of 355.23 g/mol, XLogP of 2.47, 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-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).