4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one

C14H9BrF2N2O — CID 43195383

IUPAC4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1Nc1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2N2O/c15-8-2-1-3-11-12(8)13(14(20)19-11)18-10-5-4-7(16)6-9(10)17/h1-6,13,18H,(H,19,20)
InChIKeyUQQYJMCJTHWZQM-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.83
Rot. Bonds2

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

4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one (PubChem CID 43195383) has the molecular formula C14H9BrF2N2O and a molecular weight of 339.14 g/mol. Its IUPAC name is 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one
PubChem CID43195383
Molecular FormulaC14H9BrF2N2O
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC Name4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1Nc1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2N2O/c15-8-2-1-3-11-12(8)13(14(20)19-11)18-10-5-4-7(16)6-9(10)17/h1-6,13,18H,(H,19,20)
InChIKeyUQQYJMCJTHWZQM-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one (CID 43195383) is 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one is O=C1Nc2cccc(Br)c2C1Nc1ccc(F)cc1F.
What is the InChIKey of 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one?
The InChIKey is UQQYJMCJTHWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O/c15-8-2-1-3-11-12(8)13(14(20)19-11)18-10-5-4-7(16)6-9(10)17/h1-6,13,18H,(H,19,20).
What are the key properties of 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one?
4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one has a molecular weight of 339.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43195383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).