5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one

C14H9BrClFN2O — CID 43119249

IUPAC5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9BrClFN2O/c15-7-1-4-12-9(5-7)13(14(20)19-12)18-8-2-3-11(17)10(16)6-8/h1-6,13,18H,(H,19,20)
InChIKeyLJFPMKKXTCMDMZ-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one

5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one (PubChem CID 43119249) has the molecular formula C14H9BrClFN2O and a molecular weight of 355.59 g/mol. Its IUPAC name is 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one
PubChem CID43119249
Molecular FormulaC14H9BrClFN2O
Molecular Weight355.59 g/mol
Exact Mass353.96
IUPAC Name5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9BrClFN2O/c15-7-1-4-12-9(5-7)13(14(20)19-12)18-8-2-3-11(17)10(16)6-8/h1-6,13,18H,(H,19,20)
InChIKeyLJFPMKKXTCMDMZ-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one (CID 43119249) is 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one?
The InChIKey is LJFPMKKXTCMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O/c15-7-1-4-12-9(5-7)13(14(20)19-12)18-8-2-3-11(17)10(16)6-8/h1-6,13,18H,(H,19,20).
What are the key properties of 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one?
5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one has a molecular weight of 355.59 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-chloro-4-fluoroanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43119249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).