5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one

C12H15BrN2O — CID 43190207

IUPAC5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)NC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O/c1-3-7(2)14-11-9-6-8(13)4-5-10(9)15-12(11)16/h4-7,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyODGJEYOAPGCPIR-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.83
Rot. Bonds3

About 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one

5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43190207) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43190207
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCC(C)NC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O/c1-3-7(2)14-11-9-6-8(13)4-5-10(9)15-12(11)16/h4-7,11,14H,3H2,1-2H3,(H,15,16)
InChIKeyODGJEYOAPGCPIR-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one (CID 43190207) is 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one is CCC(C)NC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is ODGJEYOAPGCPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-3-7(2)14-11-9-6-8(13)4-5-10(9)15-12(11)16/h4-7,11,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43190207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).