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

C22H16F3N3O — CID 118335523

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)17-12-10-15(11-13-17)14-28-19-9-5-4-8-18(19)20(27-28)26-21(29)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,27,29)
InChIKeySLRSSLCXCLOZPH-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.36
Rot. Bonds4

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

N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335523) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335523
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)17-12-10-15(11-13-17)14-28-19-9-5-4-8-18(19)20(27-28)26-21(29)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,27,29)
InChIKeySLRSSLCXCLOZPH-UHFFFAOYSA-N
XLogP5.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335523) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is SLRSSLCXCLOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)17-12-10-15(11-13-17)14-28-19-9-5-4-8-18(19)20(27-28)26-21(29)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,27,29).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 395.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).