2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride

C11H16BrClN2O3 — CID 119316725

IUPAC2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(Br)c(CNC(=O)CN)cc1OC.Cl
InChIInChI=1S/C11H15BrN2O3.ClH/c1-16-9-3-7(6-14-11(15)5-13)8(12)4-10(9)17-2;/h3-4H,5-6,13H2,1-2H3,(H,14,15);1H
InChIKeyBDXVMABYSKIHPF-UHFFFAOYSA-N
MW339.62 g/mol
LogP1.46
Rot. Bonds5

About 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride

2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119316725) has the molecular formula C11H16BrClN2O3 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119316725
Molecular FormulaC11H16BrClN2O3
Molecular Weight339.62 g/mol
Exact Mass338.00
IUPAC Name2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(Br)c(CNC(=O)CN)cc1OC.Cl
InChIInChI=1S/C11H15BrN2O3.ClH/c1-16-9-3-7(6-14-11(15)5-13)8(12)4-10(9)17-2;/h3-4H,5-6,13H2,1-2H3,(H,14,15);1H
InChIKeyBDXVMABYSKIHPF-UHFFFAOYSA-N
XLogP1.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]butanamide
CID 119316746
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
CID 119297083
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
CID 119316740
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
2-(2-bromo-4,5-dimethoxyphenyl)-N-prop-2-enylacetamide
CID 9207575
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 120668226
ethyl 4-[N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164615
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224154
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride (CID 119316725) is 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride is COc1cc(Br)c(CNC(=O)CN)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is BDXVMABYSKIHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3.ClH/c1-16-9-3-7(6-14-11(15)5-13)8(12)4-10(9)17-2;/h3-4H,5-6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride?
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 339.62 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119316725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).