5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one

C14H8Br3FN2O — CID 43126295

IUPAC5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H8Br3FN2O/c15-6-3-9(16)13(10(17)4-6)20-12-8-5-7(18)1-2-11(8)19-14(12)21/h1-5,12,20H,(H,19,21)
InChIKeyIHVOGAQQAYZZPY-UHFFFAOYSA-N
MW478.94 g/mol
LogP5.22
Rot. Bonds2

About 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one

5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one (PubChem CID 43126295) has the molecular formula C14H8Br3FN2O and a molecular weight of 478.94 g/mol. Its IUPAC name is 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
PubChem CID43126295
Molecular FormulaC14H8Br3FN2O
Molecular Weight478.94 g/mol
Exact Mass475.82
IUPAC Name5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H8Br3FN2O/c15-6-3-9(16)13(10(17)4-6)20-12-8-5-7(18)1-2-11(8)19-14(12)21/h1-5,12,20H,(H,19,21)
InChIKeyIHVOGAQQAYZZPY-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one (CID 43126295) is 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one?
The InChIKey is IHVOGAQQAYZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3FN2O/c15-6-3-9(16)13(10(17)4-6)20-12-8-5-7(18)1-2-11(8)19-14(12)21/h1-5,12,20H,(H,19,21).
What are the key properties of 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one?
5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one has a molecular weight of 478.94 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43126295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).