3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride

C17H20BrClN2O — CID 90483527

IUPAC3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
SMILESCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19BrN2O.ClH/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16;/h2-10H,11-13H2,1H3,(H,19,21);1H
InChIKeyQYOJKACMCIOVMO-UHFFFAOYSA-N
MW383.72 g/mol
LogP4.33
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride

3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride (PubChem CID 90483527) has the molecular formula C17H20BrClN2O and a molecular weight of 383.72 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
PubChem CID90483527
Molecular FormulaC17H20BrClN2O
Molecular Weight383.72 g/mol
Exact Mass382.04
IUPAC Name3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
SMILESCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19BrN2O.ClH/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16;/h2-10H,11-13H2,1H3,(H,19,21);1H
InChIKeyQYOJKACMCIOVMO-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride (CID 90483527) is 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride is CN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1.Cl.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride?
The InChIKey is QYOJKACMCIOVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O.ClH/c1-20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16;/h2-10H,11-13H2,1H3,(H,19,21);1H.
What are the key properties of 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride?
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride has a molecular weight of 383.72 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 90483527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).