5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one

C15H22BrN3O2 — CID 79378162

IUPAC5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(C)CC(C)(C)O)c(Br)cc21
InChIInChI=1S/C15H22BrN3O2/c1-5-17-13-9-6-10(16)12(7-11(9)18-14(13)20)19(4)8-15(2,3)21/h6-7,13,17,21H,5,8H2,1-4H3,(H,18,20)
InChIKeyHWZMJYKTQKRIAR-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.26
Rot. Bonds5

About 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one (PubChem CID 79378162) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one
PubChem CID79378162
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(C)CC(C)(C)O)c(Br)cc21
InChIInChI=1S/C15H22BrN3O2/c1-5-17-13-9-6-10(16)12(7-11(9)18-14(13)20)19(4)8-15(2,3)21/h6-7,13,17,21H,5,8H2,1-4H3,(H,18,20)
InChIKeyHWZMJYKTQKRIAR-UHFFFAOYSA-N
XLogP2.26
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
5-bromo-6-[ethyl(methyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 79343471
5-bromo-3-(ethylamino)-6-[ethyl(2-methylprop-2-enyl)amino]-1,3-dihydroindol-2-one
CID 79344717
5-chloro-3-(ethylamino)-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 79342971
5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 79343711
5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343077
5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349890
3-[[5-bromo-3-(methylamino)-2-oxo-1,3-dihydroindol-6-yl]-methylamino]propanenitrile
CID 79342790
5-bromo-3-(ethylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 79342124
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-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one (CID 79378162) is 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N(C)CC(C)(C)O)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is HWZMJYKTQKRIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-5-17-13-9-6-10(16)12(7-11(9)18-14(13)20)19(4)8-15(2,3)21/h6-7,13,17,21H,5,8H2,1-4H3,(H,18,20).
What are the key properties of 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one has a molecular weight of 356.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-[(2-hydroxy-2-methylpropyl)-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79378162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).