N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

C18H15NO4 — CID 906598

IUPACN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(C)=O)cc1
InChIInChI=1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)
InChIKeyNQZBUYPGHZTWIR-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 906598) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID906598
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(C)=O)cc1
InChIInChI=1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)
InChIKeyNQZBUYPGHZTWIR-UHFFFAOYSA-N
XLogP3.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide (CID 906598) is N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(C)=O)cc1.
What is the InChIKey of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is NQZBUYPGHZTWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide?
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 906598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).