3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C16H12F3N5O2 — CID 34554477

IUPAC3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)26-14-7-2-1-4-12(14)9-20-15(25)11-5-3-6-13(8-11)24-10-21-22-23-24/h1-8,10H,9H2,(H,20,25)
InChIKeyYJAIVCXWKXUFBQ-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.49
Rot. Bonds5

About 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 34554477) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID34554477
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)26-14-7-2-1-4-12(14)9-20-15(25)11-5-3-6-13(8-11)24-10-21-22-23-24/h1-8,10H,9H2,(H,20,25)
InChIKeyYJAIVCXWKXUFBQ-UHFFFAOYSA-N
XLogP2.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91819084
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
N-[4-(2-methylphenoxy)but-2-ynyl]-3-(tetrazol-1-yl)benzamide
CID 90575079
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 34554477) is 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccccc1OC(F)(F)F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YJAIVCXWKXUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)26-14-7-2-1-4-12(14)9-20-15(25)11-5-3-6-13(8-11)24-10-21-22-23-24/h1-8,10H,9H2,(H,20,25).
What are the key properties of 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 363.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 34554477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).