2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide

C15H18F3N3O — CID 60581890

IUPAC2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O/c1-4-21(5-2)14(22)10-20(3)12-7-6-11(9-19)13(8-12)15(16,17)18/h6-8H,4-5,10H2,1-3H3
InChIKeyJMSZNURIOWUAML-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.88
Rot. Bonds5

About 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide

2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide (PubChem CID 60581890) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
PubChem CID60581890
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O/c1-4-21(5-2)14(22)10-20(3)12-7-6-11(9-19)13(8-12)15(16,17)18/h6-8H,4-5,10H2,1-3H3
InChIKeyJMSZNURIOWUAML-UHFFFAOYSA-N
XLogP2.88
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43375326
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N-propylacetamide
CID 61452628
4-[methyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
CID 43271422
4-(diethylamino)-2-(trifluoromethyl)benzonitrile
CID 11356913
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile;4-[methyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 162220380
2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 62819452
N-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-2,2,3,4-tetramethylpentanamide
CID 162550769
4-[methyl(2-methylsulfanylethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 112698451
N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
CID 143635671
4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 63954569
N-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
CID 141070134
4-[3-(dimethylamino)propyl-ethylamino]-2-(trifluoromethyl)benzonitrile
CID 102993184

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide (CID 60581890) is 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide?
The InChIKey is JMSZNURIOWUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-4-21(5-2)14(22)10-20(3)12-7-6-11(9-19)13(8-12)15(16,17)18/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide?
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide has a molecular weight of 313.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide is sourced from PubChem (CID 60581890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).