N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide

C25H22N2O3 — CID 7501787

IUPACN-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O3/c1-3-17-10-14-19(15-11-17)26-25(29)23-22(20-6-4-5-7-21(20)30-23)27-24(28)18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyBLZJLXSAQJSDSH-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.81
Rot. Bonds5

About N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide

N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 7501787) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID7501787
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O3/c1-3-17-10-14-19(15-11-17)26-25(29)23-22(20-6-4-5-7-21(20)30-23)27-24(28)18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyBLZJLXSAQJSDSH-UHFFFAOYSA-N
XLogP5.81
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814893
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814897
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide (CID 7501787) is N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide is CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is BLZJLXSAQJSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-3-17-10-14-19(15-11-17)26-25(29)23-22(20-6-4-5-7-21(20)30-23)27-24(28)18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7501787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).