2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide

C20H23ClN2O — CID 46890718

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

About 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide

2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890718) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890718
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-5-6-18(16-3-2-4-17(21)12-16)19(11-14)20(24)23-13-15-7-9-22-10-8-15/h2-6,11-12,15,22H,7-10,13H2,1H3,(H,23,24)
InChIKeyDSGINTOJLRRGSN-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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Related Compounds

Jnj-63533054
CID 2548547
AR-M1000390
CID 9841259
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
Benzamide derivative 11
CID 41306362
N-(2-chlorophenethyl)-N-(pyrrolidin-3-yl)-4-((3-o-tolylpiperidin-1-yl)methyl)benzamide
CID 44433047
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 46890718) is 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide is Cc1ccc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is DSGINTOJLRRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-5-6-18(16-3-2-4-17(21)12-16)19(11-14)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)-5-methyl-N-(piperidin-4-ylmethyl)benzamide?
2-(3-chlorophenyl)-5-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)-5-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).