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

C21H25ClN2O — CID 17011550

IUPAC2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25)
InChIKeyMCUHTPGSYJOCTR-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.61
Rot. Bonds5

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

2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 17011550) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID17011550
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25)
InChIKeyMCUHTPGSYJOCTR-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

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 35041782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (CID 17011550) is 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is Cc1ccc(C(CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is MCUHTPGSYJOCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
2-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 2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 17011550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).