N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide

C25H20Cl2FN3O2 — CID 19285717

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide (PubChem CID 19285717) has the molecular formula C25H20Cl2FN3O2 and a molecular weight of 484.36 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
• PubChem CID: 19285717
• Molecular Formula: C25H20Cl2FN3O2
• Molecular Weight: 484.36 g/mol
• Exact Mass: 483.09
• IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
• SMILES: Cc1ccc(Cl)c(OCc2ccc(C(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)cc2)c1
• InChI: InChI=1S/C25H20Cl2FN3O2/c1-16-5-10-21(27)23(13-16)33-15-17-6-8-18(9-7-17)25(32)29-24-11-12-31(30-24)14-19-20(26)3-2-4-22(19)28/h2-13H,14-15H2,1H3,(H,29,30,32)
• InChIKey: TUPYFOQLIIWABH-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-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?

The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide (CID 19285717) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide.

What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?

The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide is Cc1ccc(Cl)c(OCc2ccc(C(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)cc2)c1.

What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?

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

What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-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-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 19285717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).