N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide

C18H16N2O3 — CID 87018603

IUPACN-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1cc2ccccc2o1
InChIInChI=1S/C18H16N2O3/c21-17(12-20-18(22)13-6-2-1-3-7-13)19-11-15-10-14-8-4-5-9-16(14)23-15/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyCNKMGBOZUNBAQG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide

N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 87018603) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID87018603
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1cc2ccccc2o1
InChIInChI=1S/C18H16N2O3/c21-17(12-20-18(22)13-6-2-1-3-7-13)19-11-15-10-14-8-4-5-9-16(14)23-15/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyCNKMGBOZUNBAQG-UHFFFAOYSA-N
XLogP2.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
2-[[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide;hydroiodide
CID 111382894
N-(1-benzofuran-2-ylmethyl)-2-cyclohexyloxyacetamide
CID 87001290
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 87018608

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide (CID 87018603) is N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCc1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is CNKMGBOZUNBAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(12-20-18(22)13-6-2-1-3-7-13)19-11-15-10-14-8-4-5-9-16(14)23-15/h1-10H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide?
N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 87018603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).