2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide

C20H23ClN2O — CID 46890977

IUPAC2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl
InChIInChI=1S/C20H23ClN2O/c1-14-6-7-16(12-19(14)21)17-4-2-3-5-18(17)20(24)23-13-15-8-10-22-11-9-15/h2-7,12,15,22H,8-11,13H2,1H3,(H,23,24)
InChIKeyCWSRXZGMHUIVTH-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide

2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890977) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890977
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl
InChIInChI=1S/C20H23ClN2O/c1-14-6-7-16(12-19(14)21)17-4-2-3-5-18(17)20(24)23-13-15-8-10-22-11-9-15/h2-7,12,15,22H,8-11,13H2,1H3,(H,23,24)
InChIKeyCWSRXZGMHUIVTH-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-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide (CID 46890977) is 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide is Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is CWSRXZGMHUIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-6-7-16(12-19(14)21)17-4-2-3-5-18(17)20(24)23-13-15-8-10-22-11-9-15/h2-7,12,15,22H,8-11,13H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide?
2-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).