3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride

C12H18Cl2N2O — CID 120828729

IUPAC3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-4-5-10(6-11(8)13)12(16)15-7-9(2)14-3;/h4-6,9,14H,7H2,1-3H3,(H,15,16);1H
InChIKeyRQNBZFASNQVMRH-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride

3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120828729) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120828729
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-4-5-10(6-11(8)13)12(16)15-7-9(2)14-3;/h4-6,9,14H,7H2,1-3H3,(H,15,16);1H
InChIKeyRQNBZFASNQVMRH-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
3-[(3-chloro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 63194263
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
3-methyl-N-[2-(methylamino)propyl]-4-nitrobenzamide
CID 120832355
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120828729) is 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(C)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is RQNBZFASNQVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-8-4-5-10(6-11(8)13)12(16)15-7-9(2)14-3;/h4-6,9,14H,7H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120828729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).