N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride

C13H20BrClN2O3 — CID 119494813

IUPACN-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCC(C)N)cc(OC)c1Br.Cl
InChIInChI=1S/C13H19BrN2O3.ClH/c1-8(15)4-5-16-13(17)9-6-10(18-2)12(14)11(7-9)19-3;/h6-8H,4-5,15H2,1-3H3,(H,16,17);1H
InChIKeyNPDFYCIYLREEGP-UHFFFAOYSA-N
MW367.67 g/mol
LogP2.36
Rot. Bonds6

About N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride

N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119494813) has the molecular formula C13H20BrClN2O3 and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119494813
Molecular FormulaC13H20BrClN2O3
Molecular Weight367.67 g/mol
Exact Mass366.03
IUPAC NameN-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCC(C)N)cc(OC)c1Br.Cl
InChIInChI=1S/C13H19BrN2O3.ClH/c1-8(15)4-5-16-13(17)9-6-10(18-2)12(14)11(7-9)19-3;/h6-8H,4-5,15H2,1-3H3,(H,16,17);1H
InChIKeyNPDFYCIYLREEGP-UHFFFAOYSA-N
XLogP2.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
CID 115700732
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride (CID 119494813) is N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride is COc1cc(C(=O)NCCC(C)N)cc(OC)c1Br.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is NPDFYCIYLREEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3.ClH/c1-8(15)4-5-16-13(17)9-6-10(18-2)12(14)11(7-9)19-3;/h6-8H,4-5,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 367.67 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119494813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).