N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide

C18H15F3N4O2 — CID 143012708

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-n3ccnn3)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O2/c1-12-2-3-13(10-16(12)18(19,20)21)23-17(26)11-27-15-6-4-14(5-7-15)25-9-8-22-24-25/h2-10H,11H2,1H3,(H,23,26)
InChIKeyAFTIDHYQCIDXHV-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.61
Rot. Bonds5

About N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide (PubChem CID 143012708) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide
PubChem CID143012708
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-n3ccnn3)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O2/c1-12-2-3-13(10-16(12)18(19,20)21)23-17(26)11-27-15-6-4-14(5-7-15)25-9-8-22-24-25/h2-10H,11H2,1H3,(H,23,26)
InChIKeyAFTIDHYQCIDXHV-UHFFFAOYSA-N
XLogP3.61
TPSA69.04 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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037
2-(4-ethoxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 24583920
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 51297120
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 26728522

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide (CID 143012708) is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(-n3ccnn3)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide?
The InChIKey is AFTIDHYQCIDXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-12-2-3-13(10-16(12)18(19,20)21)23-17(26)11-27-15-6-4-14(5-7-15)25-9-8-22-24-25/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide has a molecular weight of 376.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(triazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 143012708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).