N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C14H19F3N2O — CID 65191111

IUPACN-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(CN)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9(2)12(8-18)19-13(20)7-10-3-5-11(6-4-10)14(15,16)17/h3-6,9,12H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyOPPATSPISITKLP-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.35
Rot. Bonds5

About N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 65191111) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID65191111
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(CN)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9(2)12(8-18)19-13(20)7-10-3-5-11(6-4-10)14(15,16)17/h3-6,9,12H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyOPPATSPISITKLP-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-4-methylpentan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 106355026
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
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 76935917
[4-(trifluoromethyl)phenyl]methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 42921228
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 80751533

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 65191111) is N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)C(CN)NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OPPATSPISITKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)12(8-18)19-13(20)7-10-3-5-11(6-4-10)14(15,16)17/h3-6,9,12H,7-8,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 65191111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).