N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride

C16H26BrClN2O — CID 119599640

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C16H25BrN2O.ClH/c1-12(2)10-16(3,11-18)19-15(20)9-6-13-4-7-14(17)8-5-13;/h4-5,7-8,12H,6,9-11,18H2,1-3H3,(H,19,20);1H
InChIKeyARFLBVBBSOXCEU-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.68
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride (PubChem CID 119599640) has the molecular formula C16H26BrClN2O and a molecular weight of 377.75 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
PubChem CID119599640
Molecular FormulaC16H26BrClN2O
Molecular Weight377.75 g/mol
Exact Mass376.09
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCc1ccc(Br)cc1.Cl
InChIInChI=1S/C16H25BrN2O.ClH/c1-12(2)10-16(3,11-18)19-15(20)9-6-13-4-7-14(17)8-5-13;/h4-5,7-8,12H,6,9-11,18H2,1-3H3,(H,19,20);1H
InChIKeyARFLBVBBSOXCEU-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119599569
N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119599730
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119600366
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methylphenyl)acetamide
CID 81424785
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119598620
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119599585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride (CID 119599640) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCc1ccc(Br)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
The InChIKey is ARFLBVBBSOXCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O.ClH/c1-12(2)10-16(3,11-18)19-15(20)9-6-13-4-7-14(17)8-5-13;/h4-5,7-8,12H,6,9-11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride has a molecular weight of 377.75 g/mol, XLogP of 3.68, 7 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)-3-(4-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119599640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).