4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

C25H19Cl4N3O2 — CID 19337198

About 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (PubChem CID 19337198) has the molecular formula C25H19Cl4N3O2 and a molecular weight of 535.26 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
• PubChem CID: 19337198
• Molecular Formula: C25H19Cl4N3O2
• Molecular Weight: 535.26 g/mol
• Exact Mass: 533.02
• IUPAC Name: 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)nn1Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H19Cl4N3O2/c1-15-10-24(31-32(15)13-18-6-7-19(26)11-21(18)28)30-25(33)17-4-2-16(3-5-17)14-34-23-9-8-20(27)12-22(23)29/h2-12H,13-14H2,1H3,(H,30,31,33)
• InChIKey: PZWVNKNEOMNOFG-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.26
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?

The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (CID 19337198) is 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.

What is the SMILES notation for 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?

The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)nn1Cc1ccc(Cl)cc1Cl.

What is the InChIKey of 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?

The InChIKey is PZWVNKNEOMNOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl4N3O2/c1-15-10-24(31-32(15)13-18-6-7-19(26)11-21(18)28)30-25(33)17-4-2-16(3-5-17)14-34-23-9-8-20(27)12-22(23)29/h2-12H,13-14H2,1H3,(H,30,31,33).

What are the key properties of 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?

4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide has a molecular weight of 535.26 g/mol, XLogP of 7.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 19337198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).