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

C24H20Cl2N2O2 — CID 46099523

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

2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46099523) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• PubChem CID: 46099523
• Molecular Formula: C24H20Cl2N2O2
• Molecular Weight: 439.34 g/mol
• Exact Mass: 438.09
• IUPAC Name: 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• SMILES: Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C24H20Cl2N2O2/c1-15-3-6-17(7-4-15)13-28(24(29)19-9-8-18(25)12-20(19)26)14-23-27-21-11-16(2)5-10-22(21)30-23/h3-12H,13-14H2,1-2H3
• InChIKey: WFFVBWVNJTZSPD-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.34
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 46099523) is 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

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

The canonical SMILES for 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(Cl)cc2Cl)cc1.

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

The InChIKey is WFFVBWVNJTZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-15-3-6-17(7-4-15)13-28(24(29)19-9-8-18(25)12-20(19)26)14-23-27-21-11-16(2)5-10-22(21)30-23/h3-12H,13-14H2,1-2H3.

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

2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 439.34 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46099523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).