[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate

C20H16FNO5 — CID 2019188

IUPAC[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
SMILESO=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H16FNO5/c21-14-3-1-13(2-4-14)11-18-19(23)16-6-5-15(12-17(16)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2/b18-11-
InChIKeyMZDIPYDFGOOSTH-WQRHYEAKSA-N
MW369.35 g/mol
LogP3.27
Rot. Bonds2

About [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate

[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate (PubChem CID 2019188) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
PubChem CID2019188
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
SMILESO=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H16FNO5/c21-14-3-1-13(2-4-14)11-18-19(23)16-6-5-15(12-17(16)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2/b18-11-
InChIKeyMZDIPYDFGOOSTH-WQRHYEAKSA-N
XLogP3.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The IUPAC name of [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate (CID 2019188) is [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate is O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21.
What is the InChIKey of [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The InChIKey is MZDIPYDFGOOSTH-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H16FNO5/c21-14-3-1-13(2-4-14)11-18-19(23)16-6-5-15(12-17(16)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2/b18-11-.
What are the key properties of [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
[(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate has a molecular weight of 369.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate is sourced from PubChem (CID 2019188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).