N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O — CID 78914656

IUPACN-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(C)c(NC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-8-3-4-9(2)10(5-8)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyJGSOVGAMZHBHPW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.39
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914656) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914656
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(C)c(NC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-8-3-4-9(2)10(5-8)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyJGSOVGAMZHBHPW-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106834745
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
(3S)-N-(2,5-dimethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 8867596
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914656) is N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1ccc(C)c(NC(=O)CNCC(F)(F)F)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JGSOVGAMZHBHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-3-4-9(2)10(5-8)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).