2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide

C11H10F3N3O — CID 43374255

IUPAC2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide
SMILESCN(CC(N)=O)c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H10F3N3O/c1-17(6-10(16)18)9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4H,6H2,1H3,(H2,16,18)
InChIKeyXJDCSXJHUBQCLB-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.50
Rot. Bonds3

About 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide

2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide (PubChem CID 43374255) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide
PubChem CID43374255
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide
SMILESCN(CC(N)=O)c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H10F3N3O/c1-17(6-10(16)18)9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4H,6H2,1H3,(H2,16,18)
InChIKeyXJDCSXJHUBQCLB-UHFFFAOYSA-N
XLogP1.50
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyano-N,4-dimethylanilino)acetamide
CID 107927039
3-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]-N,2-dimethylpropanamide
CID 75482314
2-[2-cyano-N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 61007398
2-[methyl(2-propan-2-yloxyethyl)amino]-5-(trifluoromethyl)benzonitrile
CID 80708513
2-[2-cyano-N-prop-2-enyl-4-(trifluoromethyl)anilino]acetic acid
CID 79265026
2-(N-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331029
2-(N,4-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 63511664
2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
CID 61296548
2-[(4-aminocyclohexyl)-methylamino]-5-(trifluoromethyl)benzonitrile
CID 79113655
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzonitrile
CID 79379079
2-ethyl-5-(trifluoromethyl)benzonitrile
CID 66612776

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide (CID 43374255) is 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide is CN(CC(N)=O)c1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide?
The InChIKey is XJDCSXJHUBQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17(6-10(16)18)9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4H,6H2,1H3,(H2,16,18).
What are the key properties of 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide?
2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide has a molecular weight of 257.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 43374255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).