N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide

C19H20Cl2N2O — CID 2729501

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O/c20-17-7-6-14(12-18(17)21)13-23-10-8-16(9-11-23)22-19(24)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,22,24)
InChIKeyJOHZAPLUFVACFG-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.39
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 2729501) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID2729501
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C19H20Cl2N2O/c20-17-7-6-14(12-18(17)21)13-23-10-8-16(9-11-23)22-19(24)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,22,24)
InChIKeyJOHZAPLUFVACFG-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Chloro-N-(3-quinuclidinyl)benzamide
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2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide (CID 2729501) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is JOHZAPLUFVACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-17-7-6-14(12-18(17)21)13-23-10-8-16(9-11-23)22-19(24)15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,22,24).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 363.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 2729501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).