N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C14H19F3N2O — CID 78914752

IUPACN-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-13(2,3)10-6-4-5-7-11(10)19-12(20)8-18-9-14(15,16)17/h4-7,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyVGMXDGDEHDUNJH-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.07
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914752) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914752
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-13(2,3)10-6-4-5-7-11(10)19-12(20)8-18-9-14(15,16)17/h4-7,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyVGMXDGDEHDUNJH-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
CID 78957981
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000452
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106834745

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914752) is N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)(C)c1ccccc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VGMXDGDEHDUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(2,3)10-6-4-5-7-11(10)19-12(20)8-18-9-14(15,16)17/h4-7,18H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).