4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one

C13H17BrN2O — CID 43824479

IUPAC4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)(C)NC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C13H17BrN2O/c1-4-13(2,3)16-11-10-8(14)6-5-7-9(10)15-12(11)17/h5-7,11,16H,4H2,1-3H3,(H,15,17)
InChIKeyFKUUHUZPADTCEV-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.22
Rot. Bonds3

About 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one

4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43824479) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43824479
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)(C)NC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C13H17BrN2O/c1-4-13(2,3)16-11-10-8(14)6-5-7-9(10)15-12(11)17/h5-7,11,16H,4H2,1-3H3,(H,15,17)
InChIKeyFKUUHUZPADTCEV-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one (CID 43824479) is 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one is CCC(C)(C)NC1C(=O)Nc2cccc(Br)c21.
What is the InChIKey of 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is FKUUHUZPADTCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-4-13(2,3)16-11-10-8(14)6-5-7-9(10)15-12(11)17/h5-7,11,16H,4H2,1-3H3,(H,15,17).
What are the key properties of 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one?
4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 297.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43824479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).