(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one

C17H14FNO3 — CID 112979164

IUPAC(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1cc(F)ccc1OC)C(=O)N2
InChIInChI=1S/C17H14FNO3/c1-21-12-4-5-15-13(9-12)14(17(20)19-15)8-10-7-11(18)3-6-16(10)22-2/h3-9H,1-2H3,(H,19,20)/b14-8+
InChIKeyZNSFWOQEXWLCQL-RIYZIHGNSA-N
MW299.30 g/mol
LogP3.34
Rot. Bonds3

About (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one

(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one (PubChem CID 112979164) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
PubChem CID112979164
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1cc(F)ccc1OC)C(=O)N2
InChIInChI=1S/C17H14FNO3/c1-21-12-4-5-15-13(9-12)14(17(20)19-15)8-10-7-11(18)3-6-16(10)22-2/h3-9H,1-2H3,(H,19,20)/b14-8+
InChIKeyZNSFWOQEXWLCQL-RIYZIHGNSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
(3E)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 11529719
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5,7-difluoro-1H-indol-2-one
CID 69451836
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-4,5-difluoro-1H-indol-2-one
CID 11220824
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
CID 142651458
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
(3E)-3-[(5-dimethylphosphoryl-1H-pyrrol-2-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 23398037
(3E)-5-chloro-3-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 112979126
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one (CID 112979164) is (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one is COc1ccc2c(c1)/C(=C\c1cc(F)ccc1OC)C(=O)N2.
What is the InChIKey of (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one?
The InChIKey is ZNSFWOQEXWLCQL-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-21-12-4-5-15-13(9-12)14(17(20)19-15)8-10-7-11(18)3-6-16(10)22-2/h3-9H,1-2H3,(H,19,20)/b14-8+.
What are the key properties of (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one?
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one is sourced from PubChem (CID 112979164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).