2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide

C24H26F3N5O3 — CID 155542665

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide
SMILESCc1ccc(-c2cn(Cc3ccc(OC(F)(F)F)cc3)nn2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H26F3N5O3/c1-17-2-5-19(14-21(17)23(33)28-8-9-31-10-12-34-13-11-31)22-16-32(30-29-22)15-18-3-6-20(7-4-18)35-24(25,26)27/h2-7,14,16H,8-13,15H2,1H3,(H,28,33)
InChIKeyRBQVWZIBIJCOOG-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.26
Rot. Bonds8

About 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide

2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide (PubChem CID 155542665) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide
PubChem CID155542665
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide
SMILESCc1ccc(-c2cn(Cc3ccc(OC(F)(F)F)cc3)nn2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H26F3N5O3/c1-17-2-5-19(14-21(17)23(33)28-8-9-31-10-12-34-13-11-31)22-16-32(30-29-22)15-18-3-6-20(7-4-18)35-24(25,26)27/h2-7,14,16H,8-13,15H2,1H3,(H,28,33)
InChIKeyRBQVWZIBIJCOOG-UHFFFAOYSA-N
XLogP3.26
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]benzamide
CID 155539093
methyl 4-[[4-[4-methyl-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzoate
CID 155544435
5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 155555076
5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 155563138
N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991200
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111059502
1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea
CID 167980023
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226
4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide (CID 155542665) is 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide is Cc1ccc(-c2cn(Cc3ccc(OC(F)(F)F)cc3)nn2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide?
The InChIKey is RBQVWZIBIJCOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-17-2-5-19(14-21(17)23(33)28-8-9-31-10-12-34-13-11-31)22-16-32(30-29-22)15-18-3-6-20(7-4-18)35-24(25,26)27/h2-7,14,16H,8-13,15H2,1H3,(H,28,33).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide?
2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide has a molecular weight of 489.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide is sourced from PubChem (CID 155542665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).