N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride

C13H19BrCl2N2O — CID 119995418

IUPACN-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCc1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-9(7-16)8-17-13(18)5-2-10-6-11(15)3-4-12(10)14;/h3-4,6,9H,2,5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyCLYOEZXZYDYIFK-UHFFFAOYSA-N
MW370.12 g/mol
LogP3.17
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride (PubChem CID 119995418) has the molecular formula C13H19BrCl2N2O and a molecular weight of 370.12 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
PubChem CID119995418
Molecular FormulaC13H19BrCl2N2O
Molecular Weight370.12 g/mol
Exact Mass368.01
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCc1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-9(7-16)8-17-13(18)5-2-10-6-11(15)3-4-12(10)14;/h3-4,6,9H,2,5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyCLYOEZXZYDYIFK-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.12
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119606815
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
N-(3-amino-2-methylpropyl)-3-(2,4,5-trimethylphenyl)propanamide
CID 115271746
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride (CID 119995418) is N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride is CC(CN)CNC(=O)CCc1cc(Cl)ccc1Br.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
The InChIKey is CLYOEZXZYDYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O.ClH/c1-9(7-16)8-17-13(18)5-2-10-6-11(15)3-4-12(10)14;/h3-4,6,9H,2,5,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride has a molecular weight of 370.12 g/mol, XLogP of 3.17, 6 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-(2-bromo-5-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119995418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).