2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide

C13H15F3N2O2 — CID 75501661

IUPAC2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)11-7-18(5-6-20-11)8-12(17)19/h1-4,11H,5-8H2,(H2,17,19)
InChIKeyHPJDMJDESRJARG-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.56
Rot. Bonds3

About 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide

2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide (PubChem CID 75501661) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
PubChem CID75501661
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)11-7-18(5-6-20-11)8-12(17)19/h1-4,11H,5-8H2,(H2,17,19)
InChIKeyHPJDMJDESRJARG-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide (CID 75501661) is 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide is NC(=O)CN1CCOC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
The InChIKey is HPJDMJDESRJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)11-7-18(5-6-20-11)8-12(17)19/h1-4,11H,5-8H2,(H2,17,19).
What are the key properties of 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 75501661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).