N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C24H21ClFN3O2 — CID 50814161

About N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50814161) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50814161
• Molecular Formula: C24H21ClFN3O2
• Molecular Weight: 437.90 g/mol
• Exact Mass: 437.13
• IUPAC Name: N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: O=C(Nc1cccc(Cl)c1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1
• InChI: InChI=1S/C24H21ClFN3O2/c25-19-7-3-9-21(15-19)27-23(30)18-6-2-10-22(14-18)29-12-4-11-28(24(29)31)16-17-5-1-8-20(26)13-17/h1-3,5-10,13-15H,4,11-12,16H2,(H,27,30)
• InChIKey: HLRGMGNVBUAOPX-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.90
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50814161) is N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is O=C(Nc1cccc(Cl)c1)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1.

What is the InChIKey of N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is HLRGMGNVBUAOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O2/c25-19-7-3-9-21(15-19)27-23(30)18-6-2-10-22(14-18)29-12-4-11-28(24(29)31)16-17-5-1-8-20(26)13-17/h1-3,5-10,13-15H,4,11-12,16H2,(H,27,30).

What are the key properties of N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 437.90 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50814161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).