7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide

C23H18N2O4 — CID 22733923

IUPAC7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(=O)Cc2ccncc2)c2cc(C(=O)Nc3ccccc3)oc12
InChIInChI=1S/C23H18N2O4/c1-28-20-8-7-17(19(26)13-15-9-11-24-12-10-15)18-14-21(29-22(18)20)23(27)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,27)
InChIKeyBSMDOTRURYGXAQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.51
Rot. Bonds6

About 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide

7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide (PubChem CID 22733923) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
PubChem CID22733923
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(=O)Cc2ccncc2)c2cc(C(=O)Nc3ccccc3)oc12
InChIInChI=1S/C23H18N2O4/c1-28-20-8-7-17(19(26)13-15-9-11-24-12-10-15)18-14-21(29-22(18)20)23(27)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,27)
InChIKeyBSMDOTRURYGXAQ-UHFFFAOYSA-N
XLogP4.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22733941
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
7-methoxy-2-propyl-N-pyridin-4-yl-1-benzofuran-4-carboxamide
CID 70226321
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone
CID 10339237
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide (CID 22733923) is 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide is COc1ccc(C(=O)Cc2ccncc2)c2cc(C(=O)Nc3ccccc3)oc12.
What is the InChIKey of 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide?
The InChIKey is BSMDOTRURYGXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-20-8-7-17(19(26)13-15-9-11-24-12-10-15)18-14-21(29-22(18)20)23(27)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,27).
What are the key properties of 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide?
7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22733923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).