N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide

C22H17F3N4O3 — CID 24739893

IUPACN-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nnn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H17F3N4O3/c1-26-21(30)15-4-11-20-19(12-15)27-28-29(20)16-5-9-17(10-6-16)31-13-14-2-7-18(8-3-14)32-22(23,24)25/h2-12H,13H2,1H3,(H,26,30)
InChIKeyQPLCLXLJDACQMI-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.26
Rot. Bonds6

About N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide

N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide (PubChem CID 24739893) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide
PubChem CID24739893
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC NameN-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nnn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H17F3N4O3/c1-26-21(30)15-4-11-20-19(12-15)27-28-29(20)16-5-9-17(10-6-16)31-13-14-2-7-18(8-3-14)32-22(23,24)25/h2-12H,13H2,1H3,(H,26,30)
InChIKeyQPLCLXLJDACQMI-UHFFFAOYSA-N
XLogP4.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide 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-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 4802476
1-Cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024634
N-(4-methoxyphenyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 1088599
(4-Fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone
CID 163260913
1-cyclopentyl-N-(4-ethoxyphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024626
1-ethyl-N-(4-methoxyphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024890
N-[2-(4-ethoxyphenoxy)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 9115963
[1-(4-Methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
CID 164780318
1-cyclopentyl-N-(3-methoxybenzyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024636
1-Cyclopentyl-N-[(4-ethoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024660
(E)-1-[4-(benzotriazol-1-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 24970961
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 8890851

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
The IUPAC name of N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide (CID 24739893) is N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nnn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
The InChIKey is QPLCLXLJDACQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c1-26-21(30)15-4-11-20-19(12-15)27-28-29(20)16-5-9-17(10-6-16)31-13-14-2-7-18(8-3-14)32-22(23,24)25/h2-12H,13H2,1H3,(H,26,30).
What are the key properties of N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 24739893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).