5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one

C20H23FN2O2 — CID 141465861

IUPAC5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one
SMILESCCCCCCC1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21
InChIInChI=1S/C20H23FN2O2/c1-2-3-4-5-12-20(25)17-13-16(10-11-18(17)23-19(20)24)22-15-8-6-14(21)7-9-15/h6-11,13,22,25H,2-5,12H2,1H3,(H,23,24)
InChIKeyFJIDXBMEIMXFFW-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.68
Rot. Bonds7

About 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one

5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one (PubChem CID 141465861) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one
PubChem CID141465861
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one
SMILESCCCCCCC1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21
InChIInChI=1S/C20H23FN2O2/c1-2-3-4-5-12-20(25)17-13-16(10-11-18(17)23-19(20)24)22-15-8-6-14(21)7-9-15/h6-11,13,22,25H,2-5,12H2,1H3,(H,23,24)
InChIKeyFJIDXBMEIMXFFW-UHFFFAOYSA-N
XLogP4.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one (CID 141465861) is 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one is CCCCCCC1(O)C(=O)Nc2ccc(Nc3ccc(F)cc3)cc21.
What is the InChIKey of 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one?
The InChIKey is FJIDXBMEIMXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-3-4-5-12-20(25)17-13-16(10-11-18(17)23-19(20)24)22-15-8-6-14(21)7-9-15/h6-11,13,22,25H,2-5,12H2,1H3,(H,23,24).
What are the key properties of 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one?
5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one has a molecular weight of 342.41 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-3-hexyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 141465861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).