6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one

C16H20BrN3O — CID 79343721

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CC4CCC3C4)c(Br)cc21
InChIInChI=1S/C16H20BrN3O/c1-2-18-15-11-6-12(17)14(7-13(11)19-16(15)21)20-8-9-3-4-10(20)5-9/h6-7,9-10,15,18H,2-5,8H2,1H3,(H,19,21)
InChIKeyKZDJPHKCHPVESW-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.04
Rot. Bonds3

About 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one

6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 79343721) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID79343721
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CC4CCC3C4)c(Br)cc21
InChIInChI=1S/C16H20BrN3O/c1-2-18-15-11-6-12(17)14(7-13(11)19-16(15)21)20-8-9-3-4-10(20)5-9/h6-7,9-10,15,18H,2-5,8H2,1H3,(H,19,21)
InChIKeyKZDJPHKCHPVESW-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
5-bromo-3-(ethylamino)-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 106314640
5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343077
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79345041
5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one
CID 79343293
5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344222
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
5-bromo-6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 115965447
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878

Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one (CID 79343721) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CC4CCC3C4)c(Br)cc21.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is KZDJPHKCHPVESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-2-18-15-11-6-12(17)14(7-13(11)19-16(15)21)20-8-9-3-4-10(20)5-9/h6-7,9-10,15,18H,2-5,8H2,1H3,(H,19,21).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 350.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).