N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C16H19F3N4O — CID 129417514

IUPACN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@@H](Cn1nccn1)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N4O/c1-11(2)14(10-23-20-7-8-21-23)22-15(24)9-12-3-5-13(6-4-12)16(17,18)19/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPJPANNIMXMODLY-CQSZACIVSA-N
MW340.35 g/mol
LogP2.68
Rot. Bonds6

About N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 129417514) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID129417514
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@@H](Cn1nccn1)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N4O/c1-11(2)14(10-23-20-7-8-21-23)22-15(24)9-12-3-5-13(6-4-12)16(17,18)19/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPJPANNIMXMODLY-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 129417514) is N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)[C@@H](Cn1nccn1)NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PJPANNIMXMODLY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-11(2)14(10-23-20-7-8-21-23)22-15(24)9-12-3-5-13(6-4-12)16(17,18)19/h3-8,11,14H,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(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-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 129417514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).