2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride

C13H17Cl3N2O — CID 120567340

IUPAC2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(Cl)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-13(4-6-16-7-5-13)17-12(18)10-3-2-9(14)8-11(10)15;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyRZHWMGUYQGLHPJ-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.29
Rot. Bonds2

About 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride

2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120567340) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120567340
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1(NC(=O)c2ccc(Cl)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-13(4-6-16-7-5-13)17-12(18)10-3-2-9(14)8-11(10)15;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyRZHWMGUYQGLHPJ-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567147
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
CID 114696417
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
CID 119736471
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride
CID 68630966

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120567340) is 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride is CC1(NC(=O)c2ccc(Cl)cc2Cl)CCNCC1.Cl.
What is the InChIKey of 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is RZHWMGUYQGLHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c1-13(4-6-16-7-5-13)17-12(18)10-3-2-9(14)8-11(10)15;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H.
What are the key properties of 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride?
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120567340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).