N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide

C21H22ClF3N2O2 — CID 121320156

IUPACN-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22ClF3N2O2/c1-13(20(28)27-16-6-4-15(22)5-7-16)14-2-8-17(9-3-14)29-18-10-11-26-19(12-18)21(23,24)25/h4-7,10-14,17H,2-3,8-9H2,1H3,(H,27,28)
InChIKeyXRGQPMDVEXLXHU-UHFFFAOYSA-N
MW426.87 g/mol
LogP5.97
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide (PubChem CID 121320156) has the molecular formula C21H22ClF3N2O2 and a molecular weight of 426.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide
PubChem CID121320156
Molecular FormulaC21H22ClF3N2O2
Molecular Weight426.87 g/mol
Exact Mass426.13
IUPAC NameN-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22ClF3N2O2/c1-13(20(28)27-16-6-4-15(22)5-7-16)14-2-8-17(9-3-14)29-18-10-11-26-19(12-18)21(23,24)25/h4-7,10-14,17H,2-3,8-9H2,1H3,(H,27,28)
InChIKeyXRGQPMDVEXLXHU-UHFFFAOYSA-N
XLogP5.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.87
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide (CID 121320156) is N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide?
The InChIKey is XRGQPMDVEXLXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O2/c1-13(20(28)27-16-6-4-15(22)5-7-16)14-2-8-17(9-3-14)29-18-10-11-26-19(12-18)21(23,24)25/h4-7,10-14,17H,2-3,8-9H2,1H3,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide has a molecular weight of 426.87 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanamide is sourced from PubChem (CID 121320156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).