2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide

C20H23ClN2O — CID 46890717

IUPAC2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCNCC2)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-5-6-18(19(11-14)16-3-2-4-17(21)12-16)20(24)23-13-15-7-9-22-10-8-15/h2-6,11-12,15,22H,7-10,13H2,1H3,(H,23,24)
InChIKeyMLFQIWUGDUKCJZ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide

2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890717) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890717
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCNCC2)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-5-6-18(19(11-14)16-3-2-4-17(21)12-16)20(24)23-13-15-7-9-22-10-8-15/h2-6,11-12,15,22H,7-10,13H2,1H3,(H,23,24)
InChIKeyMLFQIWUGDUKCJZ-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 46890717) is 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCNCC2)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is MLFQIWUGDUKCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-5-6-18(19(11-14)16-3-2-4-17(21)12-16)20(24)23-13-15-7-9-22-10-8-15/h2-6,11-12,15,22H,7-10,13H2,1H3,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide?
2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 342.87 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).