N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C₂₂H₁₅ClF₃N₃O — CID 153318212

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 153318212) has the molecular formula C₂₂H₁₅ClF₃N₃O and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
• PubChem CID: 153318212
• Molecular Formula: C₂₂H₁₅ClF₃N₃O
• Molecular Weight: 429.83 g/mol
• Exact Mass: 429.09
• IUPAC Name: N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
• SMILES: O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12)c1ccccc1
• InChI: InChI=1S/C22H15ClF3N3O/c23-17-7-4-8-18-19(17)20(27-21(30)15-5-2-1-3-6-15)28-29(18)13-14-9-11-16(12-10-14)22(24,25)26/h1-12H,13H2,(H,27,28,30)
• InChIKey: UUUNQUXSFKJPBL-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.83
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?

The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 153318212) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?

The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12)c1ccccc1.

What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?

The InChIKey is UUUNQUXSFKJPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O/c23-17-7-4-8-18-19(17)20(27-21(30)15-5-2-1-3-6-15)28-29(18)13-14-9-11-16(12-10-14)22(24,25)26/h1-12H,13H2,(H,27,28,30).

What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 429.83 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 153318212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153318212 — identifiers, structure, computed properties (public domain)

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