2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

C13H15F3N2O2 — CID 110443194

IUPAC2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(NCc1ccccc1N1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)12(19)17-9-10-3-1-2-4-11(10)18-5-7-20-8-6-18/h1-4H,5-9H2,(H,17,19)
InChIKeyJNRIDMKDEAQODB-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.70
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 110443194) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID110443194
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(NCc1ccccc1N1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)12(19)17-9-10-3-1-2-4-11(10)18-5-7-20-8-6-18/h1-4H,5-9H2,(H,17,19)
InChIKeyJNRIDMKDEAQODB-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
N-[(2-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 86859322
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
2-cyclohexylidene-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 51096916
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (CID 110443194) is 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is O=C(NCc1ccccc1N1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is JNRIDMKDEAQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)12(19)17-9-10-3-1-2-4-11(10)18-5-7-20-8-6-18/h1-4H,5-9H2,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 110443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).