3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide

C24H18Cl3N3O2 — CID 19398867

About 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide

3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19398867) has the molecular formula C24H18Cl3N3O2 and a molecular weight of 486.79 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
• PubChem CID: 19398867
• Molecular Formula: C24H18Cl3N3O2
• Molecular Weight: 486.79 g/mol
• Exact Mass: 485.05
• IUPAC Name: 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1cccc(COc2cccc(Cl)c2)c1
• InChI: InChI=1S/C24H18Cl3N3O2/c25-19-5-2-6-20(13-19)32-15-17-3-1-4-18(11-17)24(31)28-23-9-10-30(29-23)14-16-7-8-21(26)22(27)12-16/h1-13H,14-15H2,(H,28,29,31)
• InChIKey: AURBJTJFZQWMPL-UHFFFAOYSA-N
• XLogP: 6.72
• 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	486.79
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19398867) is 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide.

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

The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1cccc(COc2cccc(Cl)c2)c1.

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

The InChIKey is AURBJTJFZQWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O2/c25-19-5-2-6-20(13-19)32-15-17-3-1-4-18(11-17)24(31)28-23-9-10-30(29-23)14-16-7-8-21(26)22(27)12-16/h1-13H,14-15H2,(H,28,29,31).

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

3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 486.79 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19398867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).