N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C15H17F3N4O2 — CID 124592494

IUPACN-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1cn[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O2/c1-9(2)13(10-3-5-11(6-4-10)15(16,17)18)20-12(23)7-22-8-19-21-14(22)24/h3-6,8-9,13H,7H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyQUWVWPSYNSUNBP-CYBMUJFWSA-N
MW342.32 g/mol
LogP2.10
Rot. Bonds5

About N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 124592494) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID124592494
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1cn[nH]c1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O2/c1-9(2)13(10-3-5-11(6-4-10)15(16,17)18)20-12(23)7-22-8-19-21-14(22)24/h3-6,8-9,13H,7H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyQUWVWPSYNSUNBP-CYBMUJFWSA-N
XLogP2.10
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 124592494) is N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is CC(C)[C@@H](NC(=O)Cn1cn[nH]c1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is QUWVWPSYNSUNBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9(2)13(10-3-5-11(6-4-10)15(16,17)18)20-12(23)7-22-8-19-21-14(22)24/h3-6,8-9,13H,7H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 342.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 124592494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).