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

C23H15F6N3O — CID 118335536

IUPAC2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H15F6N3O/c24-22(25,26)15-11-9-14(10-12-15)13-32-19-8-4-2-6-17(19)20(31-32)30-21(33)16-5-1-3-7-18(16)23(27,28)29/h1-12H,13H2,(H,30,31,33)
InChIKeyVAMHTIGFVBZKND-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.37
Rot. Bonds4

About 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335536) has the molecular formula C23H15F6N3O and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335536
Molecular FormulaC23H15F6N3O
Molecular Weight463.38 g/mol
Exact Mass463.11
IUPAC Name2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H15F6N3O/c24-22(25,26)15-11-9-14(10-12-15)13-32-19-8-4-2-6-17(19)20(31-32)30-21(33)16-5-1-3-7-18(16)23(27,28)29/h1-12H,13H2,(H,30,31,33)
InChIKeyVAMHTIGFVBZKND-UHFFFAOYSA-N
XLogP6.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335536) is 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is VAMHTIGFVBZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O/c24-22(25,26)15-11-9-14(10-12-15)13-32-19-8-4-2-6-17(19)20(31-32)30-21(33)16-5-1-3-7-18(16)23(27,28)29/h1-12H,13H2,(H,30,31,33).
What are the key properties of 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 463.38 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).