2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C13H16F3NO4 — CID 103606770

IUPAC2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCOCCOCC(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4/c1-19-6-7-20-8-12(18)17-10-2-4-11(5-3-10)21-9-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyCCEOPKSYSNYGJV-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.23
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 103606770) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID103606770
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Name2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCOCCOCC(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4/c1-19-6-7-20-8-12(18)17-10-2-4-11(5-3-10)21-9-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyCCEOPKSYSNYGJV-UHFFFAOYSA-N
XLogP2.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
2-(2,6-dimethylphenoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474451
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 103606770) is 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is COCCOCC(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is CCEOPKSYSNYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-19-6-7-20-8-12(18)17-10-2-4-11(5-3-10)21-9-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 307.27 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 103606770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).