4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide

C22H24ClF3N2O — CID 164617715

IUPAC4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H24ClF3N2O/c1-2-18(28-21(29)16-10-12-17(23)13-11-16)14-6-8-15(9-7-14)19-4-3-5-20(27-19)22(24,25)26/h3-5,10-15,18H,2,6-9H2,1H3,(H,28,29)/t14?,15?,18-/m1/s1
InChIKeyNDQJCJQXEZTZQF-JTTJXQCZSA-N
MW424.89 g/mol
LogP6.24
Rot. Bonds5

About 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide

4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide (PubChem CID 164617715) has the molecular formula C22H24ClF3N2O and a molecular weight of 424.89 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide
PubChem CID164617715
Molecular FormulaC22H24ClF3N2O
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC Name4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H24ClF3N2O/c1-2-18(28-21(29)16-10-12-17(23)13-11-16)14-6-8-15(9-7-14)19-4-3-5-20(27-19)22(24,25)26/h3-5,10-15,18H,2,6-9H2,1H3,(H,28,29)/t14?,15?,18-/m1/s1
InChIKeyNDQJCJQXEZTZQF-JTTJXQCZSA-N
XLogP6.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide (CID 164617715) is 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide?
The InChIKey is NDQJCJQXEZTZQF-JTTJXQCZSA-N. The full InChI is InChI=1S/C22H24ClF3N2O/c1-2-18(28-21(29)16-10-12-17(23)13-11-16)14-6-8-15(9-7-14)19-4-3-5-20(27-19)22(24,25)26/h3-5,10-15,18H,2,6-9H2,1H3,(H,28,29)/t14?,15?,18-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide has a molecular weight of 424.89 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164617715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).