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

C24H21FN2O2 — CID 46099622

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

4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46099622) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• PubChem CID: 46099622
• Molecular Formula: C24H21FN2O2
• Molecular Weight: 388.44 g/mol
• Exact Mass: 388.16
• IUPAC Name: 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
• SMILES: Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C24H21FN2O2/c1-16-3-6-18(7-4-16)14-27(24(28)19-8-10-20(25)11-9-19)15-23-26-21-13-17(2)5-12-22(21)29-23/h3-13H,14-15H2,1-2H3
• InChIKey: NUPMXYKPOJVHIU-UHFFFAOYSA-N
• XLogP: 5.43
• 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	388.44
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 46099622) is 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2)cc1.

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

The InChIKey is NUPMXYKPOJVHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-16-3-6-18(7-4-16)14-27(24(28)19-8-10-20(25)11-9-19)15-23-26-21-13-17(2)5-12-22(21)29-23/h3-13H,14-15H2,1-2H3.

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

4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46099622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).