2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide

C14H16F3N3O — CID 115693730

IUPAC2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C14H16F3N3O/c1-3-20(4-2)13(21)9-19-12-6-5-11(14(15,16)17)7-10(12)8-18/h5-7,19H,3-4,9H2,1-2H3
InChIKeyOQLNTMYFMONPHL-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.86
Rot. Bonds5

About 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide

2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide (PubChem CID 115693730) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
PubChem CID115693730
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C14H16F3N3O/c1-3-20(4-2)13(21)9-19-12-6-5-11(14(15,16)17)7-10(12)8-18/h5-7,19H,3-4,9H2,1-2H3
InChIKeyOQLNTMYFMONPHL-UHFFFAOYSA-N
XLogP2.86
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-4-nitroanilino)-N,N-diethylacetamide
CID 47419478
2-[2-cyano-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 61264554
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
3-[2-cyano-4-(trifluoromethyl)anilino]propanoic acid
CID 43331025
2-(butylamino)-5-(trifluoromethyl)benzonitrile
CID 43153532
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
2-(3-ethylsulfonylpropylamino)-5-(trifluoromethyl)benzonitrile
CID 115911140
N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
2-(2-aminobutylamino)-5-(trifluoromethyl)benzonitrile
CID 63732029

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide (CID 115693730) is 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide?
The InChIKey is OQLNTMYFMONPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-3-20(4-2)13(21)9-19-12-6-5-11(14(15,16)17)7-10(12)8-18/h5-7,19H,3-4,9H2,1-2H3.
What are the key properties of 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide?
2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide has a molecular weight of 299.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide is sourced from PubChem (CID 115693730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).