4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide

C28H22N2O4 — CID 29292226

IUPAC4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C28H22N2O4/c1-33-24-9-5-4-8-23(24)30-28(32)19-10-13-21(14-11-19)29-26(31)16-20-17-34-25-15-12-18-6-2-3-7-22(18)27(20)25/h2-15,17H,16H2,1H3,(H,29,31)(H,30,32)
InChIKeyXBNBGWGYZYSHDY-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.03
Rot. Bonds6

About 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide

4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 29292226) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
PubChem CID29292226
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC Name4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C28H22N2O4/c1-33-24-9-5-4-8-23(24)30-28(32)19-10-13-21(14-11-19)29-26(31)16-20-17-34-25-15-12-18-6-2-3-7-22(18)27(20)25/h2-15,17H,16H2,1H3,(H,29,31)(H,30,32)
InChIKeyXBNBGWGYZYSHDY-UHFFFAOYSA-N
XLogP6.03
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 42978396
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide (CID 29292226) is 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1.
What is the InChIKey of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is XBNBGWGYZYSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-33-24-9-5-4-8-23(24)30-28(32)19-10-13-21(14-11-19)29-26(31)16-20-17-34-25-15-12-18-6-2-3-7-22(18)27(20)25/h2-15,17H,16H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide?
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 450.49 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 29292226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).