(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide

C22H15NO3 — CID 155523486

IUPAC(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C22H15NO3/c23-22(25)18-8-4-7-17-20(24)19(26-21(17)18)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-13H,(H2,23,25)/b19-13-
InChIKeyQLJBCQSTZYBROL-UYRXBGFRSA-N
MW341.37 g/mol
LogP4.07
Rot. Bonds3

About (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide

(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide (PubChem CID 155523486) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide
PubChem CID155523486
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C22H15NO3/c23-22(25)18-8-4-7-17-20(24)19(26-21(17)18)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-13H,(H2,23,25)/b19-13-
InChIKeyQLJBCQSTZYBROL-UYRXBGFRSA-N
XLogP4.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide (CID 155523486) is (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O.
What is the InChIKey of (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide?
The InChIKey is QLJBCQSTZYBROL-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H15NO3/c23-22(25)18-8-4-7-17-20(24)19(26-21(17)18)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-13H,(H2,23,25)/b19-13-.
What are the key properties of (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide?
(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 155523486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).