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

C25H22F2N2O4 — CID 46099634

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

N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide (PubChem CID 46099634) has the molecular formula C25H22F2N2O4 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
• PubChem CID: 46099634
• Molecular Formula: C25H22F2N2O4
• Molecular Weight: 452.46 g/mol
• Exact Mass: 452.15
• IUPAC Name: N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
• SMILES: COc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2cc(F)ccc2F)c(OC)c1
• InChI: InChI=1S/C25H22F2N2O4/c1-15-4-9-22-21(10-15)28-24(33-22)14-29(13-16-11-17(26)5-8-20(16)27)25(30)19-7-6-18(31-2)12-23(19)32-3/h4-12H,13-14H2,1-3H3
• InChIKey: UDKATOXSCHQPNA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide (CID 46099634) is N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide.

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

The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2cc(F)ccc2F)c(OC)c1.

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

The InChIKey is UDKATOXSCHQPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O4/c1-15-4-9-22-21(10-15)28-24(33-22)14-29(13-16-11-17(26)5-8-20(16)27)25(30)19-7-6-18(31-2)12-23(19)32-3/h4-12H,13-14H2,1-3H3.

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

N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide has a molecular weight of 452.46 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 46099634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).