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

C15H19F3N2O2 — CID 84599857

IUPACN-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
SMILESCCNC(=O)CN1CCOC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O2/c1-2-19-14(21)10-20-7-8-22-13(9-20)11-5-3-4-6-12(11)15(16,17)18/h3-6,13H,2,7-10H2,1H3,(H,19,21)
InChIKeyUTNHOIBMJYXCRM-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.21
Rot. Bonds4

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

N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide (PubChem CID 84599857) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
PubChem CID84599857
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide
SMILESCCNC(=O)CN1CCOC(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O2/c1-2-19-14(21)10-20-7-8-22-13(9-20)11-5-3-4-6-12(11)15(16,17)18/h3-6,13H,2,7-10H2,1H3,(H,19,21)
InChIKeyUTNHOIBMJYXCRM-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide (CID 84599857) is N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide is CCNC(=O)CN1CCOC(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
The InChIKey is UTNHOIBMJYXCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-2-19-14(21)10-20-7-8-22-13(9-20)11-5-3-4-6-12(11)15(16,17)18/h3-6,13H,2,7-10H2,1H3,(H,19,21).
What are the key properties of N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide?
N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 84599857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).