3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

C21H25ClN2O — CID 17011556

IUPAC3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(Cl)c2)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16-8-10-17(11-9-16)20(24-12-3-2-4-13-24)15-23-21(25)18-6-5-7-19(22)14-18/h5-11,14,20H,2-4,12-13,15H2,1H3,(H,23,25)
InChIKeyRFUUQFMIJHBOOB-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.61
Rot. Bonds5

About 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 17011556) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID17011556
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(Cl)c2)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16-8-10-17(11-9-16)20(24-12-3-2-4-13-24)15-23-21(25)18-6-5-7-19(22)14-18/h5-11,14,20H,2-4,12-13,15H2,1H3,(H,23,25)
InChIKeyRFUUQFMIJHBOOB-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
3-chloro-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]benzamide
CID 40948864
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (CID 17011556) is 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is Cc1ccc(C(CNC(=O)c2cccc(Cl)c2)N2CCCCC2)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is RFUUQFMIJHBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16-8-10-17(11-9-16)20(24-12-3-2-4-13-24)15-23-21(25)18-6-5-7-19(22)14-18/h5-11,14,20H,2-4,12-13,15H2,1H3,(H,23,25).
What are the key properties of 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 356.90 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 17011556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).