2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide

C12H15F3N2O — CID 167921207

IUPAC2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-3-17(8-11(18)16-2)10-6-4-5-9(7-10)12(13,14)15/h4-7H,3,8H2,1-2H3,(H,16,18)
InChIKeyZKFFMOPNEPDKLN-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.28
Rot. Bonds4

About 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide

2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide (PubChem CID 167921207) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
PubChem CID167921207
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-3-17(8-11(18)16-2)10-6-4-5-9(7-10)12(13,14)15/h4-7H,3,8H2,1-2H3,(H,16,18)
InChIKeyZKFFMOPNEPDKLN-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
CID 43572623
1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane
CID 158213715
2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
CID 94399881
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
CID 117013527
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide?
The IUPAC name of 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide (CID 167921207) is 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide?
The canonical SMILES for 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide is CCN(CC(=O)NC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide?
The InChIKey is ZKFFMOPNEPDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-17(8-11(18)16-2)10-6-4-5-9(7-10)12(13,14)15/h4-7H,3,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide?
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide has a molecular weight of 260.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 167921207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).