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

C16H15BrN2O — CID 43195433

IUPAC6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCc1cc(C)cc(NC2C(=O)Nc3cc(Br)ccc32)c1
InChIInChI=1S/C16H15BrN2O/c1-9-5-10(2)7-12(6-9)18-15-13-4-3-11(17)8-14(13)19-16(15)20/h3-8,15,18H,1-2H3,(H,19,20)
InChIKeyHIFFOPIVQNZORS-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.17
Rot. Bonds2

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

6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one (PubChem CID 43195433) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
PubChem CID43195433
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCc1cc(C)cc(NC2C(=O)Nc3cc(Br)ccc32)c1
InChIInChI=1S/C16H15BrN2O/c1-9-5-10(2)7-12(6-9)18-15-13-4-3-11(17)8-14(13)19-16(15)20/h3-8,15,18H,1-2H3,(H,19,20)
InChIKeyHIFFOPIVQNZORS-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one (CID 43195433) is 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one is Cc1cc(C)cc(NC2C(=O)Nc3cc(Br)ccc32)c1.
What is the InChIKey of 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one?
The InChIKey is HIFFOPIVQNZORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-9-5-10(2)7-12(6-9)18-15-13-4-3-11(17)8-14(13)19-16(15)20/h3-8,15,18H,1-2H3,(H,19,20).
What are the key properties of 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one?
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one has a molecular weight of 331.21 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43195433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).