(3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one

C17H14FNO2 — CID 46504683

IUPAC(3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
SMILESCCOc1ccccc1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H14FNO2/c1-2-21-16-6-4-3-5-11(16)9-14-13-10-12(18)7-8-15(13)19-17(14)20/h3-10H,2H2,1H3,(H,19,20)/b14-9-
InChIKeySVUQDSWQUMZTRS-ZROIWOOFSA-N
MW283.30 g/mol
LogP3.72
Rot. Bonds3

About (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 46504683) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
PubChem CID46504683
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
SMILESCCOc1ccccc1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H14FNO2/c1-2-21-16-6-4-3-5-11(16)9-14-13-10-12(18)7-8-15(13)19-17(14)20/h3-10H,2H2,1H3,(H,19,20)/b14-9-
InChIKeySVUQDSWQUMZTRS-ZROIWOOFSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one (CID 46504683) is (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one is CCOc1ccccc1/C=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is SVUQDSWQUMZTRS-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-21-16-6-4-3-5-11(16)9-14-13-10-12(18)7-8-15(13)19-17(14)20/h3-10H,2H2,1H3,(H,19,20)/b14-9-.
What are the key properties of (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-ethoxyphenyl)methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 46504683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).