2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide

C21H18N2O4 — CID 35494253

IUPAC2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
SMILESCCn1cc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21
InChIInChI=1S/C21H18N2O4/c1-2-23-11-13(15-5-3-4-6-17(15)23)9-19-21(25)16-8-7-14(10-18(16)27-19)26-12-20(22)24/h3-11H,2,12H2,1H3,(H2,22,24)/b19-9-
InChIKeySCLVIGXZHCWWQZ-OCKHKDLRSA-N
MW362.39 g/mol
LogP3.14
Rot. Bonds5

About 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide

2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide (PubChem CID 35494253) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
PubChem CID35494253
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
SMILESCCn1cc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21
InChIInChI=1S/C21H18N2O4/c1-2-23-11-13(15-5-3-4-6-17(15)23)9-19-21(25)16-8-7-14(10-18(16)27-19)26-12-20(22)24/h3-11H,2,12H2,1H3,(H2,22,24)/b19-9-
InChIKeySCLVIGXZHCWWQZ-OCKHKDLRSA-N
XLogP3.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
The IUPAC name of 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide (CID 35494253) is 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide is CCn1cc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21.
What is the InChIKey of 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
The InChIKey is SCLVIGXZHCWWQZ-OCKHKDLRSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-2-23-11-13(15-5-3-4-6-17(15)23)9-19-21(25)16-8-7-14(10-18(16)27-19)26-12-20(22)24/h3-11H,2,12H2,1H3,(H2,22,24)/b19-9-.
What are the key properties of 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide is sourced from PubChem (CID 35494253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).