2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide

C20H17NO4 — CID 169335250

IUPAC2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C20H17NO4/c1-24-15-8-6-14(7-9-15)12-21-20(23)18-5-3-2-4-17(18)19-11-10-16(13-22)25-19/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyZLVFXXZLEYJTAM-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.70
Rot. Bonds6

About 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide

2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 169335250) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID169335250
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C20H17NO4/c1-24-15-8-6-14(7-9-15)12-21-20(23)18-5-3-2-4-17(18)19-11-10-16(13-22)25-19/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyZLVFXXZLEYJTAM-UHFFFAOYSA-N
XLogP3.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.70
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

3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
CID 169335175
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-methylpropyl 2-(5-formylfuran-2-yl)benzoate
CID 169331925
1-N-[(4-methoxyphenyl)methyl]-2-N-[1-[(4-methoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]benzene-1,2-dicarboxamide
CID 20967557
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide (CID 169335250) is 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2-c2ccc(C=O)o2)cc1.
What is the InChIKey of 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is ZLVFXXZLEYJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-15-8-6-14(7-9-15)12-21-20(23)18-5-3-2-4-17(18)19-11-10-16(13-22)25-19/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide?
2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 169335250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).