2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide

C16H11NO3 — CID 57126408

IUPAC2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide
SMILESO=C(C=C1Oc2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C16H11NO3/c18-15(17-11-6-2-1-3-7-11)10-14-16(19)12-8-4-5-9-13(12)20-14/h1-10H,(H,17,18)
InChIKeyMZRDXOFSOYADOW-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.78
Rot. Bonds2

About 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide

2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide (PubChem CID 57126408) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide
PubChem CID57126408
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide
SMILESO=C(C=C1Oc2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C16H11NO3/c18-15(17-11-6-2-1-3-7-11)10-14-16(19)12-8-4-5-9-13(12)20-14/h1-10H,(H,17,18)
InChIKeyMZRDXOFSOYADOW-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_M(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 53380131
CID 53380131
2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 6447057
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide
CID 101349181
3-oxo-N-phenyl-1-benzofuran-2-carboxamide
CID 14294430
(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
CID 71453621
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
(Z)-N-phenylbut-2-enamide
CID 59909226
(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 142733229
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide (CID 57126408) is 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide is O=C(C=C1Oc2ccccc2C1=O)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide?
The InChIKey is MZRDXOFSOYADOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15(17-11-6-2-1-3-7-11)10-14-16(19)12-8-4-5-9-13(12)20-14/h1-10H,(H,17,18).
What are the key properties of 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide?
2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide has a molecular weight of 265.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide is sourced from PubChem (CID 57126408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).