N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride

C13H19BrCl2N2O — CID 119642954

IUPACN-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-3-13(16,4-2)8-17-12(18)10-7-9(14)5-6-11(10)15;/h5-7H,3-4,8,16H2,1-2H3,(H,17,18);1H
InChIKeyNVKISKKKKNIYFJ-UHFFFAOYSA-N
MW370.12 g/mol
LogP3.77
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride (PubChem CID 119642954) has the molecular formula C13H19BrCl2N2O and a molecular weight of 370.12 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
PubChem CID119642954
Molecular FormulaC13H19BrCl2N2O
Molecular Weight370.12 g/mol
Exact Mass368.01
IUPAC NameN-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-3-13(16,4-2)8-17-12(18)10-7-9(14)5-6-11(10)15;/h5-7H,3-4,8,16H2,1-2H3,(H,17,18);1H
InChIKeyNVKISKKKKNIYFJ-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.12
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
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N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 119644009
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride (CID 119642954) is N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(Br)ccc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride?
The InChIKey is NVKISKKKKNIYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O.ClH/c1-3-13(16,4-2)8-17-12(18)10-7-9(14)5-6-11(10)15;/h5-7H,3-4,8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride has a molecular weight of 370.12 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119642954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).