2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

C25H22Cl2N2O3 — CID 51985215

About 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide

2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 51985215) has the molecular formula C25H22Cl2N2O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
• PubChem CID: 51985215
• Molecular Formula: C25H22Cl2N2O3
• Molecular Weight: 469.37 g/mol
• Exact Mass: 468.10
• IUPAC Name: 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
• SMILES: Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)c3)oc2cc1C
• InChI: InChI=1S/C25H22Cl2N2O3/c1-13-5-6-17(25-29-21-8-14(2)15(3)9-22(21)32-25)10-20(13)28-23(30)12-31-24-16(4)7-18(26)11-19(24)27/h5-11H,12H2,1-4H3,(H,28,30)
• InChIKey: BZUMJZZNBJRELD-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.37
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?

The IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (CID 51985215) is 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

What is the SMILES notation for 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?

The canonical SMILES for 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4c(C)cc(Cl)cc4Cl)c3)oc2cc1C.

What is the InChIKey of 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?

The InChIKey is BZUMJZZNBJRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O3/c1-13-5-6-17(25-29-21-8-14(2)15(3)9-22(21)32-25)10-20(13)28-23(30)12-31-24-16(4)7-18(26)11-19(24)27/h5-11H,12H2,1-4H3,(H,28,30).

What are the key properties of 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?

2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 469.37 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichloro-6-methylphenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 51985215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).