2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide

C14H15F6NO — CID 134918044

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H15F6NO/c1-3-21(4-2)12(22)7-9-5-6-10(13(15,16)17)8-11(9)14(18,19)20/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMCEJAXBTGXLLQT-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.14
Rot. Bonds4

About 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide

2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide (PubChem CID 134918044) has the molecular formula C14H15F6NO and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide
PubChem CID134918044
Molecular FormulaC14H15F6NO
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H15F6NO/c1-3-21(4-2)12(22)7-9-5-6-10(13(15,16)17)8-11(9)14(18,19)20/h5-6,8H,3-4,7H2,1-2H3
InChIKeyMCEJAXBTGXLLQT-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
2-(3-Methylphenyl)-1-pyrrolidin-1-ylethanone
CID 6465185
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
2-(2-Methylphenyl)-1-pyrrolidin-1-ylethanone
CID 6470987
1-(Pyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethan-1-one
CID 9462870
Benzamide, N,N-diethyl-2,4-dimethyl-
CID 41198
1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
CID 4673107
(1R)-7-ethyl-1,3-dimethyl-1H-3-benzazepin-2-one
CID 168299075
3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
CID 852174
2-fluoro-N,N-dimethyl-2-phenylacetamide
CID 4111754
N,N-Dimethyl-2-(2-methylphenyl)acetamide
CID 15835959
1-Methyl-3-(3-(trifluoromethyl)phenyl)-1H-pyrrole-2,5-dione
CID 20274406

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide (CID 134918044) is 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide?
The InChIKey is MCEJAXBTGXLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO/c1-3-21(4-2)12(22)7-9-5-6-10(13(15,16)17)8-11(9)14(18,19)20/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide?
2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide has a molecular weight of 327.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)phenyl]-N,N-diethylacetamide is sourced from PubChem (CID 134918044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).