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

C24H20N2O4 — CID 20875391

IUPACN-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c1-16-11-13-17(14-12-16)25-24(28)23-22(19-9-5-6-10-20(19)30-23)26-21(27)15-29-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZZMPHWXYJGKBPD-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.01
Rot. Bonds6

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

N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 20875391) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID20875391
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c1-16-11-13-17(14-12-16)25-24(28)23-22(19-9-5-6-10-20(19)30-23)26-21(27)15-29-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZZMPHWXYJGKBPD-UHFFFAOYSA-N
XLogP5.01
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide (CID 20875391) is N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is ZZMPHWXYJGKBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16-11-13-17(14-12-16)25-24(28)23-22(19-9-5-6-10-20(19)30-23)26-21(27)15-29-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide?
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).