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

C24H18ClNO4 — CID 4062465

IUPAC2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C24H18ClNO4/c1-15-10-12-16(13-11-15)23(28)24-22(17-6-2-4-8-19(17)30-24)26-21(27)14-29-20-9-5-3-7-18(20)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyAOWSLILGZHYHHL-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.64
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 4062465) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID4062465
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C24H18ClNO4/c1-15-10-12-16(13-11-15)23(28)24-22(17-6-2-4-8-19(17)30-24)26-21(27)14-29-20-9-5-3-7-18(20)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyAOWSLILGZHYHHL-UHFFFAOYSA-N
XLogP5.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (CID 4062465) is 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is AOWSLILGZHYHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO4/c1-15-10-12-16(13-11-15)23(28)24-22(17-6-2-4-8-19(17)30-24)26-21(27)14-29-20-9-5-3-7-18(20)25/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 419.86 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 4062465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).