4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide

C18H15F3N4O2 — CID 143921086

IUPAC4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
SMILESCn1c(COc2ccc(C(N)=O)cc2)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O2/c1-25-15(10-27-12-8-6-11(7-9-12)16(22)26)23-24-17(25)13-4-2-3-5-14(13)18(19,20)21/h2-9H,10H2,1H3,(H2,22,26)
InChIKeyAPFABOMOKALIEI-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.18
Rot. Bonds5

About 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide

4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide (PubChem CID 143921086) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
PubChem CID143921086
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
SMILESCn1c(COc2ccc(C(N)=O)cc2)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O2/c1-25-15(10-27-12-8-6-11(7-9-12)16(22)26)23-24-17(25)13-4-2-3-5-14(13)18(19,20)21/h2-9H,10H2,1H3,(H2,22,26)
InChIKeyAPFABOMOKALIEI-UHFFFAOYSA-N
XLogP3.18
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide
CID 143921078
[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanamine
CID 112593887
2-fluoro-4-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide
CID 58243982
N'-hydroxy-4-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzenecarboximidamide
CID 58244040
4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carboxamide
CID 20755040
3-(phenoxymethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985623
3-(3-chloropropylsulfanyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 91755519
5-[5-carbamoyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 58243598
2-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]acetic acid
CID 68556828
4-[(1-benzylimidazol-2-yl)methoxy]benzamide
CID 38897503
4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 59255569
(2-chlorophenyl) N-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 70235678

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
The IUPAC name of 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide (CID 143921086) is 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
The canonical SMILES for 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide is Cn1c(COc2ccc(C(N)=O)cc2)nnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
The InChIKey is APFABOMOKALIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-15(10-27-12-8-6-11(7-9-12)16(22)26)23-24-17(25)13-4-2-3-5-14(13)18(19,20)21/h2-9H,10H2,1H3,(H2,22,26).
What are the key properties of 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide?
4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]benzamide is sourced from PubChem (CID 143921086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).