N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride

C15H24BrClN2O — CID 119598613

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-10(2)8-15(4,9-17)18-14(19)13-6-5-12(16)7-11(13)3;/h5-7,10H,8-9,17H2,1-4H3,(H,18,19);1H
InChIKeyXACMDMYAEKFCSB-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.67
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride (PubChem CID 119598613) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
PubChem CID119598613
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
SMILESCc1cc(Br)ccc1C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-10(2)8-15(4,9-17)18-14(19)13-6-5-12(16)7-11(13)3;/h5-7,10H,8-9,17H2,1-4H3,(H,18,19);1H
InChIKeyXACMDMYAEKFCSB-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride (CID 119598613) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride is Cc1cc(Br)ccc1C(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride?
The InChIKey is XACMDMYAEKFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-10(2)8-15(4,9-17)18-14(19)13-6-5-12(16)7-11(13)3;/h5-7,10H,8-9,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119598613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).