2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

C26H25F2N3O4 — CID 46071517

About 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide

2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (PubChem CID 46071517) has the molecular formula C26H25F2N3O4 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
• PubChem CID: 46071517
• Molecular Formula: C26H25F2N3O4
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.18
• IUPAC Name: 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
• SMILES: COc1ccc(CN2CCCN(c3ccc(OC)cc3NC(=O)c3c(F)cccc3F)C2=O)cc1
• InChI: InChI=1S/C26H25F2N3O4/c1-34-18-9-7-17(8-10-18)16-30-13-4-14-31(26(30)33)23-12-11-19(35-2)15-22(23)29-25(32)24-20(27)5-3-6-21(24)28/h3,5-12,15H,4,13-14,16H2,1-2H3,(H,29,32)
• InChIKey: WFKMHRCUTWIZLC-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide (CID 46071517) is 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is COc1ccc(CN2CCCN(c3ccc(OC)cc3NC(=O)c3c(F)cccc3F)C2=O)cc1.

What is the InChIKey of 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

The InChIKey is WFKMHRCUTWIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O4/c1-34-18-9-7-17(8-10-18)16-30-13-4-14-31(26(30)33)23-12-11-19(35-2)15-22(23)29-25(32)24-20(27)5-3-6-21(24)28/h3,5-12,15H,4,13-14,16H2,1-2H3,(H,29,32).

What are the key properties of 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide?

2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide has a molecular weight of 481.50 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide is sourced from PubChem (CID 46071517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).