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

C13H17F3N2O — CID 119524236

IUPACN-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(CN)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-12(2,8-17)18-11(19)7-9-4-3-5-10(6-9)13(14,15)16/h3-6H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyHTDUTGFMJQJIQX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.10
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 119524236) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID119524236
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(CN)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-12(2,8-17)18-11(19)7-9-4-3-5-10(6-9)13(14,15)16/h3-6H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyHTDUTGFMJQJIQX-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119523391
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013675
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 119524236) is N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)(CN)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HTDUTGFMJQJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2,8-17)18-11(19)7-9-4-3-5-10(6-9)13(14,15)16/h3-6H,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119524236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).