5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C19H14FNO3 — CID 68994560

IUPAC5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCOC=Cc1ccc2c(c1)COC2=C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C19H14FNO3/c1-23-7-6-11-2-4-14-12(8-11)10-24-18(14)17-15-9-13(20)3-5-16(15)21-19(17)22/h2-9H,10H2,1H3,(H,21,22)
InChIKeyKOXQIJCDKFFOSK-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.79
Rot. Bonds2

About 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 68994560) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID68994560
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCOC=Cc1ccc2c(c1)COC2=C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C19H14FNO3/c1-23-7-6-11-2-4-14-12(8-11)10-24-18(14)17-15-9-13(20)3-5-16(15)21-19(17)22/h2-9H,10H2,1H3,(H,21,22)
InChIKeyKOXQIJCDKFFOSK-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 68994560) is 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is COC=Cc1ccc2c(c1)COC2=C1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is KOXQIJCDKFFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-23-7-6-11-2-4-14-12(8-11)10-24-18(14)17-15-9-13(20)3-5-16(15)21-19(17)22/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 323.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[5-(2-methoxyethenyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 68994560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).