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

C17H17F3N2O2 — CID 56593302

IUPAC2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOCCNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-24-10-9-21-15-8-3-2-7-14(15)16(23)22-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23)
InChIKeyGGPKGBYGOWNVIC-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.02
Rot. Bonds6

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

2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 56593302) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID56593302
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOCCNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-24-10-9-21-15-8-3-2-7-14(15)16(23)22-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23)
InChIKeyGGPKGBYGOWNVIC-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 56593302) is 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is COCCNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GGPKGBYGOWNVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-24-10-9-21-15-8-3-2-7-14(15)16(23)22-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23).
What are the key properties of 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 338.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).