4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide

C21H28F4N2O2 — CID 153338524

IUPAC4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C21H28F4N2O2/c22-16-5-6-17(18(13-16)21(23,24)25)15-3-1-14(2-4-15)7-10-27-20(19(26)28)8-11-29-12-9-20/h5-6,13-15,27H,1-4,7-12H2,(H2,26,28)
InChIKeyZFKYQZQKIXEDBZ-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.13
Rot. Bonds6

About 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide

4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338524) has the molecular formula C21H28F4N2O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338524
Molecular FormulaC21H28F4N2O2
Molecular Weight416.46 g/mol
Exact Mass416.21
IUPAC Name4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C21H28F4N2O2/c22-16-5-6-17(18(13-16)21(23,24)25)15-3-1-14(2-4-15)7-10-27-20(19(26)28)8-11-29-12-9-20/h5-6,13-15,27H,1-4,7-12H2,(H2,26,28)
InChIKeyZFKYQZQKIXEDBZ-UHFFFAOYSA-N
XLogP4.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide with MolForge

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Related Compounds

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
4-[2-[4-(2,4,6-Trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 152538936
4-[2-[4-(2,4-Difluoro-6-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338446
4-[2-[4-(2-Chloro-3-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338454
4-[2-[4-(2,4-Difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338463
N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338514
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338533
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338534
4-[2-[4-(4,5-Difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338564
4-[2-[4-(2-Chloro-4,6-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338573
4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338629
4-[2-[4-(2-Chloro-5-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 155757714

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338524) is 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is ZFKYQZQKIXEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F4N2O2/c22-16-5-6-17(18(13-16)21(23,24)25)15-3-1-14(2-4-15)7-10-27-20(19(26)28)8-11-29-12-9-20/h5-6,13-15,27H,1-4,7-12H2,(H2,26,28).
What are the key properties of 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 153338524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).