N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide

C12H15F3N2O2 — CID 54833709

IUPACN-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOCCNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-6-5-16-11(18)8-17-10-4-2-3-9(7-10)12(13,14)15/h2-4,7,17H,5-6,8H2,1H3,(H,16,18)
InChIKeySHHYVQSQTZZPCT-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.88
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 54833709) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID54833709
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOCCNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-6-5-16-11(18)8-17-10-4-2-3-9(7-10)12(13,14)15/h2-4,7,17H,5-6,8H2,1H3,(H,16,18)
InChIKeySHHYVQSQTZZPCT-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]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

N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 65490633
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833624
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17474009
N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
CID 113218646

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 54833709) is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide is COCCNC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is SHHYVQSQTZZPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-6-5-16-11(18)8-17-10-4-2-3-9(7-10)12(13,14)15/h2-4,7,17H,5-6,8H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 54833709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).