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

C27H26ClF3N2O — CID 58449354

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

3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (PubChem CID 58449354) has the molecular formula C27H26ClF3N2O and a molecular weight of 486.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
• PubChem CID: 58449354
• Molecular Formula: C27H26ClF3N2O
• Molecular Weight: 486.97 g/mol
• Exact Mass: 486.17
• IUPAC Name: 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
• SMILES: C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cc(C2CCCCC2)c1)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C27H26ClF3N2O/c1-17(20-9-12-25(32-16-20)27(29,30)31)33-26(34)23-14-21(18-5-3-2-4-6-18)13-22(15-23)19-7-10-24(28)11-8-19/h7-18H,2-6H2,1H3,(H,33,34)/t17-/m1/s1
• InChIKey: UYNLEKLMLOLHCV-QGZVFWFLSA-N
• XLogP: 7.96
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.97
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

The IUPAC name of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (CID 58449354) is 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

What is the SMILES notation for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

The canonical SMILES for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)cc(C2CCCCC2)c1)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

The InChIKey is UYNLEKLMLOLHCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H26ClF3N2O/c1-17(20-9-12-25(32-16-20)27(29,30)31)33-26(34)23-14-21(18-5-3-2-4-6-18)13-22(15-23)19-7-10-24(28)11-8-19/h7-18H,2-6H2,1H3,(H,33,34)/t17-/m1/s1.

What are the key properties of 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide has a molecular weight of 486.97 g/mol, XLogP of 7.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 58449354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).