3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

C24H21ClN2O2 — CID 46100582

About 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide

3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46100582) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• PubChem CID: 46100582
• Molecular Formula: C24H21ClN2O2
• Molecular Weight: 404.90 g/mol
• Exact Mass: 404.13
• IUPAC Name: 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• SMILES: Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(Cl)c2)cc1
• InChI: InChI=1S/C24H21ClN2O2/c1-16-6-9-18(10-7-16)14-27(24(28)19-4-3-5-20(25)13-19)15-23-26-21-12-17(2)8-11-22(21)29-23/h3-13H,14-15H2,1-2H3
• InChIKey: OAMLNTDMODODQC-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.90
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?

The IUPAC name of 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 46100582) is 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

What is the SMILES notation for 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?

The canonical SMILES for 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(Cl)c2)cc1.

What is the InChIKey of 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?

The InChIKey is OAMLNTDMODODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16-6-9-18(10-7-16)14-27(24(28)19-4-3-5-20(25)13-19)15-23-26-21-12-17(2)8-11-22(21)29-23/h3-13H,14-15H2,1-2H3.

What are the key properties of 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide?

3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 404.90 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46100582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).