5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one

C14H19BrN2O2 — CID 79342125

IUPAC5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OCCC(C)C)c(Br)cc21
InChIInChI=1S/C14H19BrN2O2/c1-8(2)4-5-19-12-7-11-9(6-10(12)15)13(16-3)14(18)17-11/h6-8,13,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyRNWILHBGUHQFNG-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.09
Rot. Bonds5

About 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one

5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one (PubChem CID 79342125) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
PubChem CID79342125
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OCCC(C)C)c(Br)cc21
InChIInChI=1S/C14H19BrN2O2/c1-8(2)4-5-19-12-7-11-9(6-10(12)15)13(16-3)14(18)17-11/h6-8,13,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyRNWILHBGUHQFNG-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one (CID 79342125) is 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OCCC(C)C)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
The InChIKey is RNWILHBGUHQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-8(2)4-5-19-12-7-11-9(6-10(12)15)13(16-3)14(18)17-11/h6-8,13,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one has a molecular weight of 327.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).