N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

C11H12F3NO2 — CID 17217262

IUPACN-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-6-5-15-10(16)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyULJUWHHIYPIVBT-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.08
Rot. Bonds4

About N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 17217262) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID17217262
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-6-5-15-10(16)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyULJUWHHIYPIVBT-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide 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-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 17217262) is N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ULJUWHHIYPIVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-6-5-15-10(16)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 17217262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).