3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C24H18Cl2FN3O2 — CID 19399869

About 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19399869) has the molecular formula C24H18Cl2FN3O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
• PubChem CID: 19399869
• Molecular Formula: C24H18Cl2FN3O2
• Molecular Weight: 470.33 g/mol
• Exact Mass: 469.08
• IUPAC Name: 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
• SMILES: O=C(Nc1cnn(Cc2ccccc2F)c1)c1cccc(COc2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C24H18Cl2FN3O2/c25-19-8-9-23(21(26)11-19)32-15-16-4-3-6-17(10-16)24(31)29-20-12-28-30(14-20)13-18-5-1-2-7-22(18)27/h1-12,14H,13,15H2,(H,29,31)
• InChIKey: AIYRBROAJXYIQW-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.33
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19399869) is 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccccc2F)c1)c1cccc(COc2ccc(Cl)cc2Cl)c1.

What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

The InChIKey is AIYRBROAJXYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O2/c25-19-8-9-23(21(26)11-19)32-15-16-4-3-6-17(10-16)24(31)29-20-12-28-30(14-20)13-18-5-1-2-7-22(18)27/h1-12,14H,13,15H2,(H,29,31).

What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?

3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 470.33 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19399869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).