3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

C25H22N2O4 — CID 20875380

IUPAC3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(C)cc3)oc3ccccc23)cc1
InChIInChI=1S/C25H22N2O4/c1-3-30-19-14-10-17(11-15-19)24(28)27-22-20-6-4-5-7-21(20)31-23(22)25(29)26-18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHWSBOSFWSLKUDI-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.64
Rot. Bonds6

About 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 20875380) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID20875380
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(C)cc3)oc3ccccc23)cc1
InChIInChI=1S/C25H22N2O4/c1-3-30-19-14-10-17(11-15-19)24(28)27-22-20-6-4-5-7-21(20)31-23(22)25(29)26-18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHWSBOSFWSLKUDI-UHFFFAOYSA-N
XLogP5.64
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(4-ethoxyphenyl)-3-[(3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814634
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide (CID 20875380) is 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide is CCOc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(C)cc3)oc3ccccc23)cc1.
What is the InChIKey of 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is HWSBOSFWSLKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-3-30-19-14-10-17(11-15-19)24(28)27-22-20-6-4-5-7-21(20)31-23(22)25(29)26-18-12-8-16(2)9-13-18/h4-15H,3H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).