N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide

C25H20ClNO4 — CID 4098052

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1C
InChIInChI=1S/C25H20ClNO4/c1-15-7-12-19(13-16(15)2)30-14-22(28)27-23-20-5-3-4-6-21(20)31-25(23)24(29)17-8-10-18(26)11-9-17/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyJFRKBZZWKBYRAR-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.95
Rot. Bonds6

About N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 4098052) has the molecular formula C25H20ClNO4 and a molecular weight of 433.89 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID4098052
Molecular FormulaC25H20ClNO4
Molecular Weight433.89 g/mol
Exact Mass433.11
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1C
InChIInChI=1S/C25H20ClNO4/c1-15-7-12-19(13-16(15)2)30-14-22(28)27-23-20-5-3-4-6-21(20)31-25(23)24(29)17-8-10-18(26)11-9-17/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyJFRKBZZWKBYRAR-UHFFFAOYSA-N
XLogP5.95
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide (CID 4098052) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1C.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is JFRKBZZWKBYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4/c1-15-7-12-19(13-16(15)2)30-14-22(28)27-23-20-5-3-4-6-21(20)31-25(23)24(29)17-8-10-18(26)11-9-17/h3-13H,14H2,1-2H3,(H,27,28).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 433.89 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 4098052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).