5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione

C41H28F4N2O7 — CID 159345589

About 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione

5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione (PubChem CID 159345589) has the molecular formula C41H28F4N2O7 and a molecular weight of 736.67 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione
• PubChem CID: 159345589
• Molecular Formula: C41H28F4N2O7
• Molecular Weight: 736.67 g/mol
• Exact Mass: 736.18
• IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione
• SMILES: COc1cccc(-n2c(=O)oc3ccc(-c4ccc(F)cc4F)cc3c2=O)c1.COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c1
• InChI: InChI=1S/C21H13F2NO4.C20H15F2NO3/c1-27-15-4-2-3-14(11-15)24-20(25)17-9-12(5-8-19(17)28-21(24)26)16-7-6-13(22)10-18(16)23;1-26-15-4-2-3-14(11-15)23-20(25)17-9-12(5-8-19(17)24)16-7-6-13(21)10-18(16)22/h2-11H,1H3;2-11,24H,1H3,(H,23,25)
• InChIKey: LGRKRAGZFPAVJL-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 120.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.67
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione?

The IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione (CID 159345589) is 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione.

What is the SMILES notation for 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione?

The canonical SMILES for 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione is COc1cccc(-n2c(=O)oc3ccc(-c4ccc(F)cc4F)cc3c2=O)c1.COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c1.

What is the InChIKey of 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione?

The InChIKey is LGRKRAGZFPAVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NO4.C20H15F2NO3/c1-27-15-4-2-3-14(11-15)24-20(25)17-9-12(5-8-19(17)28-21(24)26)16-7-6-13(22)10-18(16)23;1-26-15-4-2-3-14(11-15)23-20(25)17-9-12(5-8-19(17)24)16-7-6-13(21)10-18(16)22/h2-11H,1H3;2-11,24H,1H3,(H,23,25).

What are the key properties of 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione?

5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione has a molecular weight of 736.67 g/mol, XLogP of 8.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 159345589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).