2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O — CID 114150555

IUPAC2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-7-2-4-8(5-3-7)9(15)10(17)16-6-11(12,13)14/h2-5,9H,6,15H2,1H3,(H,16,17)
InChIKeyNUMOMTNEPWBRIY-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114150555) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114150555
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-7-2-4-8(5-3-7)9(15)10(17)16-6-11(12,13)14/h2-5,9H,6,15H2,1H3,(H,16,17)
InChIKeyNUMOMTNEPWBRIY-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 144745057
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 106312475
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
CID 120669782

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114150555) is 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(C(N)C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NUMOMTNEPWBRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7-2-4-8(5-3-7)9(15)10(17)16-6-11(12,13)14/h2-5,9H,6,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114150555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).