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

C24H17BrCl3N3O2 — CID 19287053

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

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide (PubChem CID 19287053) has the molecular formula C24H17BrCl3N3O2 and a molecular weight of 565.68 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
• PubChem CID: 19287053
• Molecular Formula: C24H17BrCl3N3O2
• Molecular Weight: 565.68 g/mol
• Exact Mass: 562.96
• IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
• SMILES: O=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1cccc(COc2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C24H17BrCl3N3O2/c25-19-13-31(12-17-5-1-2-7-20(17)27)30-23(19)29-24(32)16-6-3-4-15(10-16)14-33-22-9-8-18(26)11-21(22)28/h1-11,13H,12,14H2,(H,29,30,32)
• InChIKey: LVUNXHYYMOFJDK-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 N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide?

The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide (CID 19287053) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide.

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

The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide is O=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1cccc(COc2ccc(Cl)cc2Cl)c1.

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

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

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

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]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 N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19287053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).