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

C25H20ClNO4 — CID 4095962

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C25H20ClNO4/c1-15-7-9-17(10-8-15)24(29)25-23(19-5-3-4-6-21(19)31-25)27-22(28)14-30-18-11-12-20(26)16(2)13-18/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyUFAFHAYDSIJTEO-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.95
Rot. Bonds6

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

2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 4095962) has the molecular formula C25H20ClNO4 and a molecular weight of 433.89 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID4095962
Molecular FormulaC25H20ClNO4
Molecular Weight433.89 g/mol
Exact Mass433.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C25H20ClNO4/c1-15-7-9-17(10-8-15)24(29)25-23(19-5-3-4-6-21(19)31-25)27-22(28)14-30-18-11-12-20(26)16(2)13-18/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyUFAFHAYDSIJTEO-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 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (CID 4095962) is 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is UFAFHAYDSIJTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4/c1-15-7-9-17(10-8-15)24(29)25-23(19-5-3-4-6-21(19)31-25)27-22(28)14-30-18-11-12-20(26)16(2)13-18/h3-13H,14H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]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 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 4095962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).