2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

C13H13F3N4O2 — CID 43021015

IUPAC2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H13F3N4O2/c1-7-3-5-9(6-4-7)22-8(2)10(21)17-12-18-11(19-20-12)13(14,15)16/h3-6,8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyGZVKOIJGRVRXJN-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 43021015) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID43021015
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H13F3N4O2/c1-7-3-5-9(6-4-7)22-8(2)10(21)17-12-18-11(19-20-12)13(14,15)16/h3-6,8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyGZVKOIJGRVRXJN-UHFFFAOYSA-N
XLogP2.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906
N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 60967211
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-N-(4-ethyl-1H-pyrazol-5-yl)-2-(4-methylphenoxy)propanamide
CID 95973797
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 43021015) is 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is Cc1ccc(OC(C)C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is GZVKOIJGRVRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-7-3-5-9(6-4-7)22-8(2)10(21)17-12-18-11(19-20-12)13(14,15)16/h3-6,8H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide?
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 314.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 43021015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).