3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide

C28H28ClF3N2O2 — CID 58449380

IUPAC3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
SMILESO=C(N[C@H](CCO)c1ccc(C(F)(F)F)nc1)c1cc(-c2ccc(Cl)cc2)cc(C2CCCCC2)c1
InChIInChI=1S/C28H28ClF3N2O2/c29-24-9-6-19(7-10-24)22-14-21(18-4-2-1-3-5-18)15-23(16-22)27(36)34-25(12-13-35)20-8-11-26(33-17-20)28(30,31)32/h6-11,14-18,25,35H,1-5,12-13H2,(H,34,36)/t25-/m1/s1
InChIKeyQEMNEVJRXZQZDM-RUZDIDTESA-N
MW516.99 g/mol
LogP7.32
Rot. Bonds7

About 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide

3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide (PubChem CID 58449380) has the molecular formula C28H28ClF3N2O2 and a molecular weight of 516.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
PubChem CID58449380
Molecular FormulaC28H28ClF3N2O2
Molecular Weight516.99 g/mol
Exact Mass516.18
IUPAC Name3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
SMILESO=C(N[C@H](CCO)c1ccc(C(F)(F)F)nc1)c1cc(-c2ccc(Cl)cc2)cc(C2CCCCC2)c1
InChIInChI=1S/C28H28ClF3N2O2/c29-24-9-6-19(7-10-24)22-14-21(18-4-2-1-3-5-18)15-23(16-22)27(36)34-25(12-13-35)20-8-11-26(33-17-20)28(30,31)32/h6-11,14-18,25,35H,1-5,12-13H2,(H,34,36)/t25-/m1/s1
InChIKeyQEMNEVJRXZQZDM-RUZDIDTESA-N
XLogP7.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
The IUPAC name of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide (CID 58449380) is 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide is O=C(N[C@H](CCO)c1ccc(C(F)(F)F)nc1)c1cc(-c2ccc(Cl)cc2)cc(C2CCCCC2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
The InChIKey is QEMNEVJRXZQZDM-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28ClF3N2O2/c29-24-9-6-19(7-10-24)22-14-21(18-4-2-1-3-5-18)15-23(16-22)27(36)34-25(12-13-35)20-8-11-26(33-17-20)28(30,31)32/h6-11,14-18,25,35H,1-5,12-13H2,(H,34,36)/t25-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide has a molecular weight of 516.99 g/mol, XLogP of 7.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide is sourced from PubChem (CID 58449380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).