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

C17H13FN2O2 — CID 10334725

IUPAC(3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCNc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H13FN2O2/c1-19-11-3-4-12-9(6-11)8-22-16(12)15-13-7-10(18)2-5-14(13)20-17(15)21/h2-7,19H,8H2,1H3,(H,20,21)/b16-15+
InChIKeyHSYXZVLPMIGXAB-FOCLMDBBSA-N
MW296.30 g/mol
LogP3.22
Rot. Bonds1

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

(3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 10334725) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID10334725
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCNc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C17H13FN2O2/c1-19-11-3-4-12-9(6-11)8-22-16(12)15-13-7-10(18)2-5-14(13)20-17(15)21/h2-7,19H,8H2,1H3,(H,20,21)/b16-15+
InChIKeyHSYXZVLPMIGXAB-FOCLMDBBSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 10334725) is (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is CNc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is HSYXZVLPMIGXAB-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-19-11-3-4-12-9(6-11)8-22-16(12)15-13-7-10(18)2-5-14(13)20-17(15)21/h2-7,19H,8H2,1H3,(H,20,21)/b16-15+.
What are the key properties of (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 10334725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).