2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

C17H16F3NO3 — CID 56593348

IUPAC2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c1-23-9-10-24-15-8-3-2-7-14(15)16(22)21-13-6-4-5-12(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyOSIPEROMDOYCCO-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.98
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 56593348) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID56593348
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c1-23-9-10-24-15-8-3-2-7-14(15)16(22)21-13-6-4-5-12(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyOSIPEROMDOYCCO-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17197845
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-(2-ethoxyethoxy)-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide
CID 43878308
2-butoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide
CID 26168264
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 56593348) is 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is COCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OSIPEROMDOYCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-23-9-10-24-15-8-3-2-7-14(15)16(22)21-13-6-4-5-12(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 339.31 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56593348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).