N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide

C15H11F3N4O2 — CID 58271177

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)n1nnc2ccccc21
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-11-7-5-10(6-8-11)9-19-14(23)22-13-4-2-1-3-12(13)20-21-22/h1-8H,9H2,(H,19,23)
InChIKeyQQEGHXDSXDCNID-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.09
Rot. Bonds3

About N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide

N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide (PubChem CID 58271177) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide
PubChem CID58271177
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)n1nnc2ccccc21
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-11-7-5-10(6-8-11)9-19-14(23)22-13-4-2-1-3-12(13)20-21-22/h1-8H,9H2,(H,19,23)
InChIKeyQQEGHXDSXDCNID-UHFFFAOYSA-N
XLogP3.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide 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-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide (CID 58271177) is N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)n1nnc2ccccc21.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide?
The InChIKey is QQEGHXDSXDCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)24-11-7-5-10(6-8-11)9-19-14(23)22-13-4-2-1-3-12(13)20-21-22/h1-8H,9H2,(H,19,23).
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide?
N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-1-carboxamide is sourced from PubChem (CID 58271177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).