N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride

C11H15Cl3N2O — CID 119996487

IUPACN-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-7(5-14)6-15-11(16)8-2-9(12)4-10(13)3-8;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H
InChIKeyJDRGJJUCLKCIJN-UHFFFAOYSA-N
MW297.61 g/mol
LogP2.74
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride (PubChem CID 119996487) has the molecular formula C11H15Cl3N2O and a molecular weight of 297.61 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
PubChem CID119996487
Molecular FormulaC11H15Cl3N2O
Molecular Weight297.61 g/mol
Exact Mass296.02
IUPAC NameN-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-7(5-14)6-15-11(16)8-2-9(12)4-10(13)3-8;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H
InChIKeyJDRGJJUCLKCIJN-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
3,5-dichloro-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654646
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride (CID 119996487) is N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride is CC(CN)CNC(=O)c1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride?
The InChIKey is JDRGJJUCLKCIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O.ClH/c1-7(5-14)6-15-11(16)8-2-9(12)4-10(13)3-8;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride has a molecular weight of 297.61 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119996487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).