N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide

C13H13F3N2O2 — CID 43213636

IUPACN-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCN(CCC#N)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-18(8-2-7-17)12(19)9-20-11-5-3-10(4-6-11)13(14,15)16/h3-6H,2,8-9H2,1H3
InChIKeyGHOUIUYFDZMZHK-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.46
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 43213636) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID43213636
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCN(CCC#N)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-18(8-2-7-17)12(19)9-20-11-5-3-10(4-6-11)13(14,15)16/h3-6H,2,8-9H2,1H3
InChIKeyGHOUIUYFDZMZHK-UHFFFAOYSA-N
XLogP2.46
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 60645385
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56534162
2-chloro-N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 166148019
N-(2-cyanoethyl)-N-methyl-2-(3-methylsulfonylphenoxy)acetamide
CID 43803923
(4-tert-butylphenyl) N-(2-cyanoethyl)-N-methylcarbamate
CID 116819926
N-(2-cyanoethyl)-2-(4-methoxy-3-nitrophenoxy)-N-methylacetamide
CID 103201685
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7861849
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
4-chloro-2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 60676350
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
N-(2-cyanoethyl)-N-methyl-3-(4-methylsulfonylphenoxy)propanamide
CID 43806975

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 43213636) is N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide is CN(CCC#N)C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is GHOUIUYFDZMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-18(8-2-7-17)12(19)9-20-11-5-3-10(4-6-11)13(14,15)16/h3-6H,2,8-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 286.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 43213636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).