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

C22H27ClN2O — CID 164616330

IUPAC4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C)n2)CC1
InChIInChI=1S/C22H27ClN2O/c1-3-20(25-22(26)18-11-13-19(23)14-12-18)16-7-9-17(10-8-16)21-6-4-5-15(2)24-21/h4-6,11-14,16-17,20H,3,7-10H2,1-2H3,(H,25,26)/t16?,17?,20-/m1/s1
InChIKeyHOTAARNYDWLVIM-LBXVMSDZSA-N
MW370.92 g/mol
LogP5.53
Rot. Bonds5

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

4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide (PubChem CID 164616330) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide
PubChem CID164616330
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C)n2)CC1
InChIInChI=1S/C22H27ClN2O/c1-3-20(25-22(26)18-11-13-19(23)14-12-18)16-7-9-17(10-8-16)21-6-4-5-15(2)24-21/h4-6,11-14,16-17,20H,3,7-10H2,1-2H3,(H,25,26)/t16?,17?,20-/m1/s1
InChIKeyHOTAARNYDWLVIM-LBXVMSDZSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 55.53
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-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide (CID 164616330) is 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide?
The InChIKey is HOTAARNYDWLVIM-LBXVMSDZSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-3-20(25-22(26)18-11-13-19(23)14-12-18)16-7-9-17(10-8-16)21-6-4-5-15(2)24-21/h4-6,11-14,16-17,20H,3,7-10H2,1-2H3,(H,25,26)/t16?,17?,20-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide?
4-chloro-N-[(1R)-1-[4-(6-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide has a molecular weight of 370.92 g/mol, XLogP of 5.53, 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-methyl-2-pyridinyl)cyclohexyl]propyl]benzamide is sourced from PubChem (CID 164616330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).