4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C24H17BrCl3N3O2 — CID 19407319

About 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19407319) has the molecular formula C24H17BrCl3N3O2 and a molecular weight of 565.68 g/mol. Its IUPAC name is 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
• PubChem CID: 19407319
• Molecular Formula: C24H17BrCl3N3O2
• Molecular Weight: 565.68 g/mol
• Exact Mass: 562.96
• IUPAC Name: 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
• SMILES: O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(COc2ccc(Br)cc2Cl)cc1
• InChI: InChI=1S/C24H17BrCl3N3O2/c25-18-7-10-22(20(27)11-18)33-14-16-1-5-17(6-2-16)24(32)29-23-21(28)13-31(30-23)12-15-3-8-19(26)9-4-15/h1-11,13H,12,14H2,(H,29,30,32)
• InChIKey: HLNRDJGMDVGLKM-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

The IUPAC name of 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19407319) is 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

The canonical SMILES for 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(COc2ccc(Br)cc2Cl)cc1.

What is the InChIKey of 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

The InChIKey is HLNRDJGMDVGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrCl3N3O2/c25-18-7-10-22(20(27)11-18)33-14-16-1-5-17(6-2-16)24(32)29-23-21(28)13-31(30-23)12-15-3-8-19(26)9-4-15/h1-11,13H,12,14H2,(H,29,30,32).

What are the key properties of 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 565.68 g/mol, XLogP of 7.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19407319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).