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

C20H16FNO5 — CID 3278356

IUPAC[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
SMILESO=C1C(=Cc2ccccc2F)Oc2cc(OC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H16FNO5/c21-16-4-2-1-3-13(16)11-18-19(23)15-6-5-14(12-17(15)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2
InChIKeyHNNYHMCSHDVRCP-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.27
Rot. Bonds2

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

[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate (PubChem CID 3278356) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
PubChem CID3278356
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
SMILESO=C1C(=Cc2ccccc2F)Oc2cc(OC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H16FNO5/c21-16-4-2-1-3-13(16)11-18-19(23)15-6-5-14(12-17(15)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2
InChIKeyHNNYHMCSHDVRCP-UHFFFAOYSA-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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Related Compounds

[(2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 943647
[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 5145981
[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 5212603
[3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] morpholine-4-carboxylate
CID 7243351
[2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 4836317
[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 5264821
[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate
CID 6315334
[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,6-dimethoxybenzoate
CID 3601167
2-[[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 6227020
[2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-fluorobenzoate
CID 3840251
[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-[hydroxy(oxido)amino]benzoate
CID 163136137
2-[(2-fluorophenyl)methylidene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-one
CID 5266068

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate (CID 3278356) is [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate is O=C1C(=Cc2ccccc2F)Oc2cc(OC(=O)N3CCOCC3)ccc21.
What is the InChIKey of [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The InChIKey is HNNYHMCSHDVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c21-16-4-2-1-3-13(16)11-18-19(23)15-6-5-14(12-17(15)27-18)26-20(24)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2.
What are the key properties of [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
[2-[(2-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 [2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate is sourced from PubChem (CID 3278356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).