5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one

C18H16FNO4 — CID 3450009

IUPAC5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(C=C2C(=O)Nc3ccc(F)cc32)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)
InChIKeyXINISPIAUUKSSZ-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.34
Rot. Bonds4

About 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one

5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 3450009) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID3450009
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(C=C2C(=O)Nc3ccc(F)cc32)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)
InChIKeyXINISPIAUUKSSZ-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235
5-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 54391150
(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
CID 155758920
5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
CID 142651458
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
(3Z)-5-(furan-2-ylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 155540289
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
5-bromo-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 1228781

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one (CID 3450009) is 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one is COc1cc(C=C2C(=O)Nc3ccc(F)cc32)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is XINISPIAUUKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21).
What are the key properties of 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 329.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 3450009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).