4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide

C19H24F3NO2 — CID 55677876

IUPAC4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H24F3NO2/c20-19(21,22)15-7-4-8-16(13-15)23-17(24)18(9-11-25-12-10-18)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,23,24)
InChIKeyHHEPSJNBGMVNPQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.97
Rot. Bonds3

About 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide

4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide (PubChem CID 55677876) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
PubChem CID55677876
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H24F3NO2/c20-19(21,22)15-7-4-8-16(13-15)23-17(24)18(9-11-25-12-10-18)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,23,24)
InChIKeyHHEPSJNBGMVNPQ-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide (CID 55677876) is 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
The InChIKey is HHEPSJNBGMVNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO2/c20-19(21,22)15-7-4-8-16(13-15)23-17(24)18(9-11-25-12-10-18)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,23,24).
What are the key properties of 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 55677876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).