N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

C12H15F3N2O — CID 54940880

IUPACN,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(NCC(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-8-4-5-9(6-10(8)12(13,14)15)16-7-11(18)17(2)3/h4-6,16H,7H2,1-3H3
InChIKeyILQSWSAFZOBSKN-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.51
Rot. Bonds3

About N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 54940880) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID54940880
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(NCC(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-8-4-5-9(6-10(8)12(13,14)15)16-7-11(18)17(2)3/h4-6,16H,7H2,1-3H3
InChIKeyILQSWSAFZOBSKN-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 60690595
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
methyl 2-hydroxy-2-methyl-3-[4-methyl-3-(trifluoromethyl)anilino]propanoate
CID 104644261
4-[4-cyano-3-(trifluoromethyl)anilino]-N,N-dimethylbutanamide
CID 65484163
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
CID 103246942
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (CID 54940880) is N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is Cc1ccc(NCC(=O)N(C)C)cc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is ILQSWSAFZOBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-4-5-9(6-10(8)12(13,14)15)16-7-11(18)17(2)3/h4-6,16H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 54940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).