2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide

C26H22ClNO5 — CID 1413366

About 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide

2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide (PubChem CID 1413366) has the molecular formula C26H22ClNO5 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
• PubChem CID: 1413366
• Molecular Formula: C26H22ClNO5
• Molecular Weight: 463.92 g/mol
• Exact Mass: 463.12
• IUPAC Name: 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)cc1
• InChI: InChI=1S/C26H22ClNO5/c1-15-12-16(2)23-21(13-15)33-25(19-6-4-5-7-20(19)27)26(24(23)30)32-14-22(29)28-17-8-10-18(31-3)11-9-17/h4-13H,14H2,1-3H3,(H,28,29)
• InChIKey: MUAJYIHSNSIEKC-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 77.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.92
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide (CID 1413366) is 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)cc1.

What is the InChIKey of 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?

The InChIKey is MUAJYIHSNSIEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO5/c1-15-12-16(2)23-21(13-15)33-25(19-6-4-5-7-20(19)27)26(24(23)30)32-14-22(29)28-17-8-10-18(31-3)11-9-17/h4-13H,14H2,1-3H3,(H,28,29).

What are the key properties of 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?

2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide has a molecular weight of 463.92 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1413366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).