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

C21H22ClF3N2O — CID 138490227

IUPACN-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22ClF3N2O/c1-13(20(28)27-18-8-6-17(22)7-9-18)14-2-4-15(5-3-14)16-10-11-26-19(12-16)21(23,24)25/h6-15H,2-5H2,1H3,(H,27,28)
InChIKeyWSWKMGSCQQQPBU-UHFFFAOYSA-N
MW410.87 g/mol
LogP6.30
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide (PubChem CID 138490227) has the molecular formula C21H22ClF3N2O and a molecular weight of 410.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
PubChem CID138490227
Molecular FormulaC21H22ClF3N2O
Molecular Weight410.87 g/mol
Exact Mass410.14
IUPAC NameN-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22ClF3N2O/c1-13(20(28)27-18-8-6-17(22)7-9-18)14-2-4-15(5-3-14)16-10-11-26-19(12-16)21(23,24)25/h6-15H,2-5H2,1H3,(H,27,28)
InChIKeyWSWKMGSCQQQPBU-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide (CID 138490227) is N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
The InChIKey is WSWKMGSCQQQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O/c1-13(20(28)27-18-8-6-17(22)7-9-18)14-2-4-15(5-3-14)16-10-11-26-19(12-16)21(23,24)25/h6-15H,2-5H2,1H3,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide has a molecular weight of 410.87 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide is sourced from PubChem (CID 138490227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).