(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C18H15FN2O3 — CID 10245816

IUPAC(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1\OCc2cc(NCCO)ccc21
InChIInChI=1S/C18H15FN2O3/c19-11-1-3-14-15(8-11)21-18(23)16(14)17-13-4-2-12(20-5-6-22)7-10(13)9-24-17/h1-4,7-8,20,22H,5-6,9H2,(H,21,23)/b17-16+
InChIKeyLDMNDPIDZZQFCT-WUKNDPDISA-N
MW326.33 g/mol
LogP2.58
Rot. Bonds3

About (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 10245816) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID10245816
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1\OCc2cc(NCCO)ccc21
InChIInChI=1S/C18H15FN2O3/c19-11-1-3-14-15(8-11)21-18(23)16(14)17-13-4-2-12(20-5-6-22)7-10(13)9-24-17/h1-4,7-8,20,22H,5-6,9H2,(H,21,23)/b17-16+
InChIKeyLDMNDPIDZZQFCT-WUKNDPDISA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3E)-5-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 10250887
(1E)-1-(6-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-carboxylic acid
CID 58586290
5-fluoro-3-[5-[2-(oxan-4-ylamino)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68997458
3-[5-(2,2-dimethoxyethyl)-3H-2-benzofuran-1-ylidene]-5-fluoro-1H-indol-2-one
CID 68997985
3-[5-(diethylaminomethyl)-3H-2-benzofuran-1-ylidene]-5-fluoro-1H-indol-2-one
CID 68993441
5-fluoro-3-[5-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68994920
(3R)-2-[[(1E)-1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]methylamino]-4-hydroxy-3-methylpentanoic acid
CID 70852426
ethyl (2S)-2-[[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]methylamino]-3-methylbutanoate
CID 68997444
5-fluoro-3-[5-[2-(2-pyrrolidin-1-ylethylamino)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68993944
(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 58649196
5-fluoro-3-(3H-furo[3,4-c]pyridin-1-ylidene)-1H-indol-2-one
CID 76798885
4-[3-[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propoxy]-4-oxobutanoic acid
CID 91283881

Frequently Asked Questions

What is the IUPAC name of (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 10245816) is (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is O=C1Nc2cc(F)ccc2/C1=C1\OCc2cc(NCCO)ccc21.
What is the InChIKey of (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is LDMNDPIDZZQFCT-WUKNDPDISA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-11-1-3-14-15(8-11)21-18(23)16(14)17-13-4-2-12(20-5-6-22)7-10(13)9-24-17/h1-4,7-8,20,22H,5-6,9H2,(H,21,23)/b17-16+.
What are the key properties of (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 326.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 10245816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).