N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide

C19H18N2O4 — CID 7116970

IUPACN-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-3-16(22)21-17-14-6-4-5-7-15(14)25-18(17)19(23)20-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFYEXQORWHJHIIC-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.04
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide

N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 7116970) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
PubChem CID7116970
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-3-16(22)21-17-14-6-4-5-7-15(14)25-18(17)19(23)20-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFYEXQORWHJHIIC-UHFFFAOYSA-N
XLogP4.04
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide (CID 7116970) is N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide is CCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12.
What is the InChIKey of N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is FYEXQORWHJHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-16(22)21-17-14-6-4-5-7-15(14)25-18(17)19(23)20-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7116970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).