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

C16H11F2NO2 — CID 112979100

IUPAC(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(F)cc1/C=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C16H11F2NO2/c1-21-15-5-3-10(17)6-9(15)7-13-12-8-11(18)2-4-14(12)19-16(13)20/h2-8H,1H3,(H,19,20)/b13-7+
InChIKeyLLEKINJDTXDVBB-NTUHNPAUSA-N
MW287.27 g/mol
LogP3.47
Rot. Bonds2

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

(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 112979100) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID112979100
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(F)cc1/C=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C16H11F2NO2/c1-21-15-5-3-10(17)6-9(15)7-13-12-8-11(18)2-4-14(12)19-16(13)20/h2-8H,1H3,(H,19,20)/b13-7+
InChIKeyLLEKINJDTXDVBB-NTUHNPAUSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.47
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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Related Compounds

(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
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)-6-ethoxy-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 11529719
(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
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5,7-difluoro-1H-indol-2-one
CID 69451836
(3E)-5-chloro-3-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 112979126
5-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 54391150
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 16735296
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one (CID 112979100) is (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one is COc1ccc(F)cc1/C=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is LLEKINJDTXDVBB-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-21-15-5-3-10(17)6-9(15)7-13-12-8-11(18)2-4-14(12)19-16(13)20/h2-8H,1H3,(H,19,20)/b13-7+.
What are the key properties of (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 287.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 112979100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).