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

C22H16Cl2N2O3 — CID 2298639

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

5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 2298639) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
• PubChem CID: 2298639
• Molecular Formula: C22H16Cl2N2O3
• Molecular Weight: 427.29 g/mol
• Exact Mass: 426.05
• IUPAC Name: 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl
• InChI: InChI=1S/C22H16Cl2N2O3/c1-12-3-7-17-20(9-12)29-22(26-17)13-4-6-16(24)18(10-13)25-21(27)15-11-14(23)5-8-19(15)28-2/h3-11H,1-2H3,(H,25,27)
• InChIKey: PDLIULCQCJKCMT-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.29
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide (CID 2298639) is 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide.

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

The canonical SMILES for 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl.

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

The InChIKey is PDLIULCQCJKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-12-3-7-17-20(9-12)29-22(26-17)13-4-6-16(24)18(10-13)25-21(27)15-11-14(23)5-8-19(15)28-2/h3-11H,1-2H3,(H,25,27).

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

5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 427.29 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 2298639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).