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

C16H19F3N4O — CID 121176846

IUPACN-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(Cn1nccn1)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N4O/c1-11(2)14(10-23-20-6-7-21-23)22-15(24)9-12-4-3-5-13(8-12)16(17,18)19/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)
InChIKeyYAUYNXRUJSQSHR-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.68
Rot. Bonds6

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

N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 121176846) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID121176846
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(Cn1nccn1)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N4O/c1-11(2)14(10-23-20-6-7-21-23)22-15(24)9-12-4-3-5-13(8-12)16(17,18)19/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)
InChIKeyYAUYNXRUJSQSHR-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 129417514
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 129416206
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103799111

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 121176846) is N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)C(Cn1nccn1)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YAUYNXRUJSQSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-11(2)14(10-23-20-6-7-21-23)22-15(24)9-12-4-3-5-13(8-12)16(17,18)19/h3-8,11,14H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 340.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121176846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).