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

C25H21Cl2N3O2 — CID 19346434

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

3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19346434) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
• PubChem CID: 19346434
• Molecular Formula: C25H21Cl2N3O2
• Molecular Weight: 466.37 g/mol
• Exact Mass: 465.10
• IUPAC Name: 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
• SMILES: Cc1ccccc1Cn1cc(NC(=O)c2cccc(COc3cccc(Cl)c3Cl)c2)cn1
• InChI: InChI=1S/C25H21Cl2N3O2/c1-17-6-2-3-8-20(17)14-30-15-21(13-28-30)29-25(31)19-9-4-7-18(12-19)16-32-23-11-5-10-22(26)24(23)27/h2-13,15H,14,16H2,1H3,(H,29,31)
• InChIKey: ZLXZINNOFMMHMZ-UHFFFAOYSA-N
• XLogP: 6.38
• 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	466.37
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19346434) is 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide.

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

The canonical SMILES for 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1ccccc1Cn1cc(NC(=O)c2cccc(COc3cccc(Cl)c3Cl)c2)cn1.

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

The InChIKey is ZLXZINNOFMMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-17-6-2-3-8-20(17)14-30-15-21(13-28-30)29-25(31)19-9-4-7-18(12-19)16-32-23-11-5-10-22(26)24(23)27/h2-13,15H,14,16H2,1H3,(H,29,31).

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

3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19346434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).