N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

C20H21F3N2O2 — CID 71294308

IUPACN-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)13-27-19-17(14-7-3-1-4-8-14)11-16(12-24-19)25-18(26)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,25,26)
InChIKeyFEIDIJXFDKYXPY-UHFFFAOYSA-N
MW378.39 g/mol
LogP5.32
Rot. Bonds5

About N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (PubChem CID 71294308) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
PubChem CID71294308
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)13-27-19-17(14-7-3-1-4-8-14)11-16(12-24-19)25-18(26)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,25,26)
InChIKeyFEIDIJXFDKYXPY-UHFFFAOYSA-N
XLogP5.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The IUPAC name of N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (CID 71294308) is N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is O=C(Nc1cnc(OCC(F)(F)F)c(C2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The InChIKey is FEIDIJXFDKYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)13-27-19-17(14-7-3-1-4-8-14)11-16(12-24-19)25-18(26)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,25,26).
What are the key properties of N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 71294308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).