7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide

C21H16N2O3 — CID 46230764

IUPAC7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccncc3)oc12
InChIInChI=1S/C21H16N2O3/c1-25-18-8-7-16(14-5-3-2-4-6-14)17-13-19(26-20(17)18)21(24)23-15-9-11-22-12-10-15/h2-13H,1H3,(H,22,23,24)
InChIKeyPEQXWQXGBZNNFU-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.76
Rot. Bonds4

About 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide

7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 46230764) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
PubChem CID46230764
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccncc3)oc12
InChIInChI=1S/C21H16N2O3/c1-25-18-8-7-16(14-5-3-2-4-6-14)17-13-19(26-20(17)18)21(24)23-15-9-11-22-12-10-15/h2-13H,1H3,(H,22,23,24)
InChIKeyPEQXWQXGBZNNFU-UHFFFAOYSA-N
XLogP4.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide (CID 46230764) is 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide is COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccncc3)oc12.
What is the InChIKey of 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is PEQXWQXGBZNNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-18-8-7-16(14-5-3-2-4-6-14)17-13-19(26-20(17)18)21(24)23-15-9-11-22-12-10-15/h2-13H,1H3,(H,22,23,24).
What are the key properties of 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46230764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).