3-anilino-6-bromo-1,3-dihydroindol-2-one

C14H11BrN2O — CID 43190041

IUPAC3-anilino-6-bromo-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1Nc1ccccc1
InChIInChI=1S/C14H11BrN2O/c15-9-6-7-11-12(8-9)17-14(18)13(11)16-10-4-2-1-3-5-10/h1-8,13,16H,(H,17,18)
InChIKeyDBJXSMGKLFBGTK-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.55
Rot. Bonds2

About 3-anilino-6-bromo-1,3-dihydroindol-2-one

3-anilino-6-bromo-1,3-dihydroindol-2-one (PubChem CID 43190041) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-anilino-6-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-anilino-6-bromo-1,3-dihydroindol-2-one
PubChem CID43190041
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name3-anilino-6-bromo-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1Nc1ccccc1
InChIInChI=1S/C14H11BrN2O/c15-9-6-7-11-12(8-9)17-14(18)13(11)16-10-4-2-1-3-5-10/h1-8,13,16H,(H,17,18)
InChIKeyDBJXSMGKLFBGTK-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-6-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 3-anilino-6-bromo-1,3-dihydroindol-2-one (CID 43190041) is 3-anilino-6-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-anilino-6-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 3-anilino-6-bromo-1,3-dihydroindol-2-one is O=C1Nc2cc(Br)ccc2C1Nc1ccccc1.
What is the InChIKey of 3-anilino-6-bromo-1,3-dihydroindol-2-one?
The InChIKey is DBJXSMGKLFBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-9-6-7-11-12(8-9)17-14(18)13(11)16-10-4-2-1-3-5-10/h1-8,13,16H,(H,17,18).
What are the key properties of 3-anilino-6-bromo-1,3-dihydroindol-2-one?
3-anilino-6-bromo-1,3-dihydroindol-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 43190041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).