N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide

C20H20N2O3 — CID 7204937

IUPACN-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12
InChIInChI=1S/C20H20N2O3/c1-4-17(23)22-18-15-7-5-6-8-16(15)25-19(18)20(24)21-14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFWJGUIVDOIQALO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.65
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 7204937) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
PubChem CID7204937
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12
InChIInChI=1S/C20H20N2O3/c1-4-17(23)22-18-15-7-5-6-8-16(15)25-19(18)20(24)21-14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFWJGUIVDOIQALO-UHFFFAOYSA-N
XLogP4.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide
CID 50742212
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-(3,4-difluorophenyl)-3-(2-ethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501899
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide (CID 7204937) is N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide is CCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is FWJGUIVDOIQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-17(23)22-18-15-7-5-6-8-16(15)25-19(18)20(24)21-14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide?
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7204937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).