N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C13H17F3N2O — CID 78957889

IUPACN-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCCc1ccc(NC(=O)CNCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-3-10-4-6-11(7-5-10)18-12(19)8-17-9-13(14,15)16/h4-7,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyITAWKHXPFCLCGE-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.73
Rot. Bonds6

About N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957889) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957889
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCCc1ccc(NC(=O)CNCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-3-10-4-6-11(7-5-10)18-12(19)8-17-9-13(14,15)16/h4-7,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyITAWKHXPFCLCGE-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103825492
N-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958059
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924427
1-[[2-oxo-2-(4-propylanilino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81155992
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
3-methyl-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]butanoic acid
CID 43468513

Frequently Asked Questions

What is the IUPAC name of N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957889) is N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCCc1ccc(NC(=O)CNCC(F)(F)F)cc1.
What is the InChIKey of N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ITAWKHXPFCLCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-3-10-4-6-11(7-5-10)18-12(19)8-17-9-13(14,15)16/h4-7,17H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).