N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide

C25H20Cl2FN3O2 — CID 19402766

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

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide (PubChem CID 19402766) has the molecular formula C25H20Cl2FN3O2 and a molecular weight of 484.36 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
• PubChem CID: 19402766
• Molecular Formula: C25H20Cl2FN3O2
• Molecular Weight: 484.36 g/mol
• Exact Mass: 483.09
• IUPAC Name: N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
• SMILES: Cc1cc(OCc2ccc(C(=O)Nc3nn(Cc4cccc(F)c4)cc3Cl)cc2)ccc1Cl
• InChI: InChI=1S/C25H20Cl2FN3O2/c1-16-11-21(9-10-22(16)26)33-15-17-5-7-19(8-6-17)25(32)29-24-23(27)14-31(30-24)13-18-3-2-4-20(28)12-18/h2-12,14H,13,15H2,1H3,(H,29,30,32)
• InChIKey: MAXCIIXJLMWCPL-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.36
LogP ≤ 5	6.52
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]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide?

The IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide (CID 19402766) is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide.

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

The canonical SMILES for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide is Cc1cc(OCc2ccc(C(=O)Nc3nn(Cc4cccc(F)c4)cc3Cl)cc2)ccc1Cl.

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

The InChIKey is MAXCIIXJLMWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN3O2/c1-16-11-21(9-10-22(16)26)33-15-17-5-7-19(8-6-17)25(32)29-24-23(27)14-31(30-24)13-18-3-2-4-20(28)12-18/h2-12,14H,13,15H2,1H3,(H,29,30,32).

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

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide has a molecular weight of 484.36 g/mol, XLogP of 6.52, 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]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 19402766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).