N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide

C19H20F3NO4 — CID 2632480

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C
InChIInChI=1S/C19H20F3NO4/c1-13-5-3-4-6-16(13)27-12-18(24)23-15-11-14(19(20,21)22)7-8-17(15)26-10-9-25-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)
InChIKeyUXYQKROGXLFPII-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.06
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 2632480) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID2632480
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C
InChIInChI=1S/C19H20F3NO4/c1-13-5-3-4-6-16(13)27-12-18(24)23-15-11-14(19(20,21)22)7-8-17(15)26-10-9-25-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)
InChIKeyUXYQKROGXLFPII-UHFFFAOYSA-N
XLogP4.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide (CID 2632480) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is UXYQKROGXLFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-13-5-3-4-6-16(13)27-12-18(24)23-15-11-14(19(20,21)22)7-8-17(15)26-10-9-25-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 383.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2632480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).