N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide

C12H12F3NO3 — CID 55205672

IUPACN-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-2-16-11(18)7-19-10-4-3-8(6-17)5-9(10)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)
InChIKeySDPFLVCTEZWEKX-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.03
Rot. Bonds5

About N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide

N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55205672) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
PubChem CID55205672
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC NameN-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-2-16-11(18)7-19-10-4-3-8(6-17)5-9(10)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)
InChIKeySDPFLVCTEZWEKX-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]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-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 63320739
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide (CID 55205672) is N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide is CCNC(=O)COc1ccc(C=O)cc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is SDPFLVCTEZWEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-2-16-11(18)7-19-10-4-3-8(6-17)5-9(10)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18).
What are the key properties of N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide?
N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 275.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55205672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).