N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide

C12H12F6N2O — CID 60957323

IUPACN-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESO=C(CNCc1ccccc1C(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)7-20-10(21)6-19-5-8-3-1-2-4-9(8)12(16,17)18/h1-4,19H,5-7H2,(H,20,21)
InChIKeyLQYHDYUVZWQANS-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.47
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide

N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide (PubChem CID 60957323) has the molecular formula C12H12F6N2O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
PubChem CID60957323
Molecular FormulaC12H12F6N2O
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC NameN-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESO=C(CNCc1ccccc1C(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)7-20-10(21)6-19-5-8-3-1-2-4-9(8)12(16,17)18/h1-4,19H,5-7H2,(H,20,21)
InChIKeyLQYHDYUVZWQANS-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]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-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43398909
N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43214376
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60646650
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103619237

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide (CID 60957323) is N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide is O=C(CNCc1ccccc1C(F)(F)F)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
The InChIKey is LQYHDYUVZWQANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2O/c13-11(14,15)7-20-10(21)6-19-5-8-3-1-2-4-9(8)12(16,17)18/h1-4,19H,5-7H2,(H,20,21).
What are the key properties of N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide?
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide has a molecular weight of 314.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 60957323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).