N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride

C11H16Cl2N2O — CID 119996366

IUPACN-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(6-13)7-14-11(15)9-2-4-10(12)5-3-9;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyBSCJNIJVPUXCCU-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.09
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride (PubChem CID 119996366) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
PubChem CID119996366
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(6-13)7-14-11(15)9-2-4-10(12)5-3-9;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyBSCJNIJVPUXCCU-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 119995339
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
N-(3-amino-2-methylpropyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide
CID 119998327
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
CID 119996737
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride (CID 119996366) is N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride is CC(CN)CNC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride?
The InChIKey is BSCJNIJVPUXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-8(6-13)7-14-11(15)9-2-4-10(12)5-3-9;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.09, 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)-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119996366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).