N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide

C15H17F3N4O — CID 122162145

IUPACN-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)C(Cn1cncn1)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O/c1-10(2)13(7-22-9-19-8-20-22)21-14(23)11-3-5-12(6-4-11)15(16,17)18/h3-6,8-10,13H,7H2,1-2H3,(H,21,23)
InChIKeyOQKDPDFMSPIWKL-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.75
Rot. Bonds5

About N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide

N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 122162145) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID122162145
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)C(Cn1cncn1)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O/c1-10(2)13(7-22-9-19-8-20-22)21-14(23)11-3-5-12(6-4-11)15(16,17)18/h3-6,8-10,13H,7H2,1-2H3,(H,21,23)
InChIKeyOQKDPDFMSPIWKL-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
CID 65190896
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 129417514
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 129417786
[4-[3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 22122352
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
1-methyl-6-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
CID 75461996
1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butane-2,3-diol
CID 15197548
2-[[3-hydroxy-4-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]acetic acid
CID 67622056
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122245770
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 87019914

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide (CID 122162145) is N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide is CC(C)C(Cn1cncn1)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is OQKDPDFMSPIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10(2)13(7-22-9-19-8-20-22)21-14(23)11-3-5-12(6-4-11)15(16,17)18/h3-6,8-10,13H,7H2,1-2H3,(H,21,23).
What are the key properties of N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide?
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122162145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).