3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one

C14H20BrN3O — CID 79345048

IUPAC3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
SMILESCCC(C)CN(C)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C14H20BrN3O/c1-4-8(2)7-18(3)12-6-11-9(5-10(12)15)13(16)14(19)17-11/h5-6,8,13H,4,7,16H2,1-3H3,(H,17,19)
InChIKeyDMODRQKKKIXAPJ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one

3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79345048) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
PubChem CID79345048
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
SMILESCCC(C)CN(C)c1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C14H20BrN3O/c1-4-8(2)7-18(3)12-6-11-9(5-10(12)15)13(16)14(19)17-11/h5-6,8,13H,4,7,16H2,1-3H3,(H,17,19)
InChIKeyDMODRQKKKIXAPJ-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79342812
3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
CID 79344380
3-amino-5-bromo-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 79344189
3-amino-5-bromo-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 79342572
5-bromo-3-(ethylamino)-6-[methyl(3-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79343258
3-amino-5-bromo-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
CID 107399221
3-amino-5-chloro-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79348858
3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one
CID 112660628
3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344004
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81055148

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one (CID 79345048) is 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one is CCC(C)CN(C)c1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is DMODRQKKKIXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-4-8(2)7-18(3)12-6-11-9(5-10(12)15)13(16)14(19)17-11/h5-6,8,13H,4,7,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 326.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79345048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).