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

C14H11FN2O2 — CID 43742739

IUPAC5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(O)cc1
InChIInChI=1S/C14H11FN2O2/c15-8-1-6-12-11(7-8)13(14(19)17-12)16-9-2-4-10(18)5-3-9/h1-7,13,16,18H,(H,17,19)
InChIKeyHYVSYUXBRDLDRW-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.64
Rot. Bonds2

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

5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one (PubChem CID 43742739) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
PubChem CID43742739
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(O)cc1
InChIInChI=1S/C14H11FN2O2/c15-8-1-6-12-11(7-8)13(14(19)17-12)16-9-2-4-10(18)5-3-9/h1-7,13,16,18H,(H,17,19)
InChIKeyHYVSYUXBRDLDRW-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one (CID 43742739) is 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1ccc(O)cc1.
What is the InChIKey of 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one?
The InChIKey is HYVSYUXBRDLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-8-1-6-12-11(7-8)13(14(19)17-12)16-9-2-4-10(18)5-3-9/h1-7,13,16,18H,(H,17,19).
What are the key properties of 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one?
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43742739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).