2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H17Cl3N2O — CID 119444290

IUPAC2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyMGINURDUEKNUSP-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.24
Rot. Bonds2

About 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119444290) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119444290
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15;/h2-3,8,10,16H,4-7H2,1H3;1H
InChIKeyMGINURDUEKNUSP-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
CID 119442428
2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
CID 154759790
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119444290) is 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(Cl)cc1Cl)C1CCNCC1.Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is MGINURDUEKNUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15;/h2-3,8,10,16H,4-7H2,1H3;1H.
What are the key properties of 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119444290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).