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

C24H17Cl3FN3O2 — CID 19401112

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

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide (PubChem CID 19401112) has the molecular formula C24H17Cl3FN3O2 and a molecular weight of 504.78 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
• PubChem CID: 19401112
• Molecular Formula: C24H17Cl3FN3O2
• Molecular Weight: 504.78 g/mol
• Exact Mass: 503.04
• IUPAC Name: N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
• SMILES: O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cccc(COc2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C24H17Cl3FN3O2/c25-18-7-8-22(20(26)11-18)33-14-16-4-1-5-17(9-16)24(32)29-23-21(27)13-31(30-23)12-15-3-2-6-19(28)10-15/h1-11,13H,12,14H2,(H,29,30,32)
• InChIKey: HHQCYOHEHFHRPA-UHFFFAOYSA-N
• XLogP: 6.86
• 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	504.78
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide (CID 19401112) is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide.

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

The canonical SMILES for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide is O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cccc(COc2ccc(Cl)cc2Cl)c1.

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

The InChIKey is HHQCYOHEHFHRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3FN3O2/c25-18-7-8-22(20(26)11-18)33-14-16-4-1-5-17(9-16)24(32)29-23-21(27)13-31(30-23)12-15-3-2-6-19(28)10-15/h1-11,13H,12,14H2,(H,29,30,32).

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

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide has a molecular weight of 504.78 g/mol, XLogP of 6.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19401112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).