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

C13H14F3N3O — CID 43375326

IUPAC2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-18(2)12(20)8-19(3)10-5-4-9(7-17)11(6-10)13(14,15)16/h4-6H,8H2,1-3H3
InChIKeyDHWCPBVLXUUMIX-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.10
Rot. Bonds3

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

2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide (PubChem CID 43375326) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
PubChem CID43375326
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-18(2)12(20)8-19(3)10-5-4-9(7-17)11(6-10)13(14,15)16/h4-6H,8H2,1-3H3
InChIKeyDHWCPBVLXUUMIX-UHFFFAOYSA-N
XLogP2.10
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 60581890
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N-propylacetamide
CID 61452628
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
CID 81282642
4-[methyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
CID 43271422
4-[methyl(2-methylsulfanylethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 112698451
4-(diethylamino)-2-(trifluoromethyl)benzonitrile
CID 11356913
N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
CID 143635671
N-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
CID 141070134
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
4-[4-cyano-3-(trifluoromethyl)anilino]-N,N-dimethylbutanamide
CID 65484163
1-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylthiourea
CID 88904021

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide (CID 43375326) is 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide is CN(C)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-dimethylacetamide?
The InChIKey is DHWCPBVLXUUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-18(2)12(20)8-19(3)10-5-4-9(7-17)11(6-10)13(14,15)16/h4-6H,8H2,1-3H3.
What are the key properties of 2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 285.27 g/mol, XLogP of 2.10, 3 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-dimethylacetamide is sourced from PubChem (CID 43375326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).