N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

C19H17NO5 — CID 622408

IUPACN-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(C)=O)c1
InChIInChI=1S/C19H17NO5/c1-11(21)20-17-13-6-4-5-7-16(13)25-19(17)18(22)14-10-12(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,20,21)
InChIKeyFSXWCCVGLWIGLM-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 622408) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID622408
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(C)=O)c1
InChIInChI=1S/C19H17NO5/c1-11(21)20-17-13-6-4-5-7-16(13)25-19(17)18(22)14-10-12(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,20,21)
InChIKeyFSXWCCVGLWIGLM-UHFFFAOYSA-N
XLogP3.64
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide (CID 622408) is N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide is COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(C)=O)c1.
What is the InChIKey of N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is FSXWCCVGLWIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11(21)20-17-13-6-4-5-7-16(13)25-19(17)18(22)14-10-12(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 622408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).