N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

C13H15F3N2O3 — CID 9480621

IUPACN,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3/c1-18(2)12(20)7-17-11(19)8-21-10-5-3-4-9(6-10)13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyQWQQINMPZTXZIV-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.29
Rot. Bonds5

About N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (PubChem CID 9480621) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
PubChem CID9480621
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O3/c1-18(2)12(20)7-17-11(19)8-21-10-5-3-4-9(6-10)13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyQWQQINMPZTXZIV-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018336
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (CID 9480621) is N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is CN(C)C(=O)CNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The InChIKey is QWQQINMPZTXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-18(2)12(20)7-17-11(19)8-21-10-5-3-4-9(6-10)13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide has a molecular weight of 304.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 9480621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).