N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide

C24H20F3N3O2 — CID 42848986

About N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide

N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide (PubChem CID 42848986) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide
• PubChem CID: 42848986
• Molecular Formula: C24H20F3N3O2
• Molecular Weight: 439.44 g/mol
• Exact Mass: 439.15
• IUPAC Name: N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide
• SMILES: O=C(Nc1cccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c1)c1cccc(F)c1
• InChI: InChI=1S/C24H20F3N3O2/c25-18-5-1-4-16(12-18)23(31)28-20-6-2-7-21(14-20)30-11-3-10-29(24(30)32)15-17-13-19(26)8-9-22(17)27/h1-2,4-9,12-14H,3,10-11,15H2,(H,28,31)
• InChIKey: KEPVFZJQOWUNIC-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.44
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide?

The IUPAC name of N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide (CID 42848986) is N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide.

What is the SMILES notation for N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide?

The canonical SMILES for N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide is O=C(Nc1cccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c1)c1cccc(F)c1.

What is the InChIKey of N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide?

The InChIKey is KEPVFZJQOWUNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-18-5-1-4-16(12-18)23(31)28-20-6-2-7-21(14-20)30-11-3-10-29(24(30)32)15-17-13-19(26)8-9-22(17)27/h1-2,4-9,12-14H,3,10-11,15H2,(H,28,31).

What are the key properties of N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide?

N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide has a molecular weight of 439.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 42848986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).