5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide

C21H17NO5 — CID 17460136

IUPAC5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1
InChIInChI=1S/C21H17NO5/c1-13(23)15-3-5-16(6-4-15)17-8-9-19(27-17)21(24)22-11-14-2-7-18-20(10-14)26-12-25-18/h2-10H,11-12H2,1H3,(H,22,24)
InChIKeyANTCMSLWNSFWPT-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.81
Rot. Bonds5

About 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide (PubChem CID 17460136) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
PubChem CID17460136
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1
InChIInChI=1S/C21H17NO5/c1-13(23)15-3-5-16(6-4-15)17-8-9-19(27-17)21(24)22-11-14-2-7-18-20(10-14)26-12-25-18/h2-10H,11-12H2,1H3,(H,22,24)
InChIKeyANTCMSLWNSFWPT-UHFFFAOYSA-N
XLogP3.81
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
CID 82344120
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 9327338
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 18119096
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide (CID 17460136) is 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
The InChIKey is ANTCMSLWNSFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-13(23)15-3-5-16(6-4-15)17-8-9-19(27-17)21(24)22-11-14-2-7-18-20(10-14)26-12-25-18/h2-10H,11-12H2,1H3,(H,22,24).
What are the key properties of 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 17460136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).