N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide

C15H17F3N4O — CID 155944159

IUPACN-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(=O)C(C)c1ccc(C(F)(F)F)cc1)c1ncn(C)n1
InChIInChI=1S/C15H17F3N4O/c1-9(11-4-6-12(7-5-11)15(16,17)18)14(23)20-10(2)13-19-8-22(3)21-13/h4-10H,1-3H3,(H,20,23)
InChIKeyZMGMXWILPSVXCY-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide

N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 155944159) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID155944159
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(=O)C(C)c1ccc(C(F)(F)F)cc1)c1ncn(C)n1
InChIInChI=1S/C15H17F3N4O/c1-9(11-4-6-12(7-5-11)15(16,17)18)14(23)20-10(2)13-19-8-22(3)21-13/h4-10H,1-3H3,(H,20,23)
InChIKeyZMGMXWILPSVXCY-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 154841316
N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide
CID 130909096
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
CID 81258195
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 122147436
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
2-methyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 61219595
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide (CID 155944159) is N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide is CC(NC(=O)C(C)c1ccc(C(F)(F)F)cc1)c1ncn(C)n1.
What is the InChIKey of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZMGMXWILPSVXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9(11-4-6-12(7-5-11)15(16,17)18)14(23)20-10(2)13-19-8-22(3)21-13/h4-10H,1-3H3,(H,20,23).
What are the key properties of N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide?
N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 326.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 155944159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).