3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide

C19H18N2O3 — CID 7501768

IUPAC3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc(NC(=O)c2oc3ccccc3c2NC(C)=O)cc1
InChIInChI=1S/C19H18N2O3/c1-3-13-8-10-14(11-9-13)21-19(23)18-17(20-12(2)22)15-6-4-5-7-16(15)24-18/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIEDSFUKGTMVNEM-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.21
Rot. Bonds4

About 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide

3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 7501768) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID7501768
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc(NC(=O)c2oc3ccccc3c2NC(C)=O)cc1
InChIInChI=1S/C19H18N2O3/c1-3-13-8-10-14(11-9-13)21-19(23)18-17(20-12(2)22)15-6-4-5-7-16(15)24-18/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIEDSFUKGTMVNEM-UHFFFAOYSA-N
XLogP4.21
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
3-(butanoylamino)-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 7160085
ethyl 2-[[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-2-oxoacetate
CID 7160080
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide (CID 7501768) is 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide is CCc1ccc(NC(=O)c2oc3ccccc3c2NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is IEDSFUKGTMVNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-13-8-10-14(11-9-13)21-19(23)18-17(20-12(2)22)15-6-4-5-7-16(15)24-18/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide?
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7501768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).