N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide

C12H14F3NO3 — CID 79673463

IUPACN-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCCONC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-18-6-7-19-16-11(17)8-9-2-4-10(5-3-9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyVEFPIOUYKCVXSO-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.94
Rot. Bonds6

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

N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 79673463) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID79673463
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOCCONC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-18-6-7-19-16-11(17)8-9-2-4-10(5-3-9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyVEFPIOUYKCVXSO-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(2-amino-2-sulfanylideneethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114372
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 79673463) is N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide is COCCONC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VEFPIOUYKCVXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-18-6-7-19-16-11(17)8-9-2-4-10(5-3-9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 79673463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).