4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide

C17H13NO4 — CID 22733941

IUPAC4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C=O)c2cc(C(=O)Nc3ccccc3)oc12
InChIInChI=1S/C17H13NO4/c1-21-14-8-7-11(10-19)13-9-15(22-16(13)14)17(20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)
InChIKeyDVGMBKITXGSRDJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.51
Rot. Bonds4

About 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide

4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 22733941) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID22733941
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C=O)c2cc(C(=O)Nc3ccccc3)oc12
InChIInChI=1S/C17H13NO4/c1-21-14-8-7-11(10-19)13-9-15(22-16(13)14)17(20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)
InChIKeyDVGMBKITXGSRDJ-UHFFFAOYSA-N
XLogP3.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
CID 22733923
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
CID 86028919
7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide
CID 102471812
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609

Frequently Asked Questions

What is the IUPAC name of 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide (CID 22733941) is 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide is COc1ccc(C=O)c2cc(C(=O)Nc3ccccc3)oc12.
What is the InChIKey of 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is DVGMBKITXGSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-14-8-7-11(10-19)13-9-15(22-16(13)14)17(20)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20).
What are the key properties of 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22733941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).