2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide

C20H23ClN2O — CID 46871666

IUPAC2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-14-12-22-10-9-16(14)13-23-20(24)19-8-3-2-7-18(19)15-5-4-6-17(21)11-15/h2-8,11,14,16,22H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyCOFVSAVKXZLUQG-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide

2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 46871666) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
PubChem CID46871666
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-14-12-22-10-9-16(14)13-23-20(24)19-8-3-2-7-18(19)15-5-4-6-17(21)11-15/h2-8,11,14,16,22H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyCOFVSAVKXZLUQG-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide (CID 46871666) is 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide is CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is COFVSAVKXZLUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-12-22-10-9-16(14)13-23-20(24)19-8-3-2-7-18(19)15-5-4-6-17(21)11-15/h2-8,11,14,16,22H,9-10,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 342.87 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 46871666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).