4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide

C17H18F6N2O3 — CID 155955831

IUPAC4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide
SMILESCC(=O)N1CCOC(C(=O)NC(CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H18F6N2O3/c1-10(26)25-6-7-28-14(9-25)15(27)24-13(8-16(18,19)20)11-2-4-12(5-3-11)17(21,22)23/h2-5,13-14H,6-9H2,1H3,(H,24,27)
InChIKeyHXOZASRJUWIMAL-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.06
Rot. Bonds4

About 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide

4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide (PubChem CID 155955831) has the molecular formula C17H18F6N2O3 and a molecular weight of 412.33 g/mol. Its IUPAC name is 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide
PubChem CID155955831
Molecular FormulaC17H18F6N2O3
Molecular Weight412.33 g/mol
Exact Mass412.12
IUPAC Name4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide
SMILESCC(=O)N1CCOC(C(=O)NC(CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H18F6N2O3/c1-10(26)25-6-7-28-14(9-25)15(27)24-13(8-16(18,19)20)11-2-4-12(5-3-11)17(21,22)23/h2-5,13-14H,6-9H2,1H3,(H,24,27)
InChIKeyHXOZASRJUWIMAL-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide with MolForge

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Related Compounds

4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
CID 97348704
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796027
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119239777
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
(3R)-1-ethyl-5-oxo-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrrolidine-3-carboxamide
CID 124515907

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide?
The IUPAC name of 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide (CID 155955831) is 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide is CC(=O)N1CCOC(C(=O)NC(CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide?
The InChIKey is HXOZASRJUWIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F6N2O3/c1-10(26)25-6-7-28-14(9-25)15(27)24-13(8-16(18,19)20)11-2-4-12(5-3-11)17(21,22)23/h2-5,13-14H,6-9H2,1H3,(H,24,27).
What are the key properties of 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide?
4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide has a molecular weight of 412.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide is sourced from PubChem (CID 155955831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).