N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide

C23H18Cl2N2O3 — CID 17110571

About N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide

N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 17110571) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
• PubChem CID: 17110571
• Molecular Formula: C23H18Cl2N2O3
• Molecular Weight: 441.31 g/mol
• Exact Mass: 440.07
• IUPAC Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
• SMILES: Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)oc2c1
• InChI: InChI=1S/C23H18Cl2N2O3/c1-13-3-8-19-21(9-13)30-23(27-19)15-4-6-18(25)20(11-15)26-22(28)12-29-16-5-7-17(24)14(2)10-16/h3-11H,12H2,1-2H3,(H,26,28)
• InChIKey: RLBOUBKSCXMANZ-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.31
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide (CID 17110571) is N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide.

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

The canonical SMILES for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide is Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)oc2c1.

What is the InChIKey of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?

The InChIKey is RLBOUBKSCXMANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-13-3-8-19-21(9-13)30-23(27-19)15-4-6-18(25)20(11-15)26-22(28)12-29-16-5-7-17(24)14(2)10-16/h3-11H,12H2,1-2H3,(H,26,28).

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

N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 441.31 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 17110571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).