N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H19BrClN3O3 — CID 119757138

IUPACN-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(Br)ccc1NC(C)=O.Cl
InChIInChI=1S/C13H18BrN3O3.ClH/c1-9(18)16-11-4-3-10(14)7-12(11)17-13(19)8-15-5-6-20-2;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyKNZOIGBALGXYLG-UHFFFAOYSA-N
MW380.67 g/mol
LogP2.00
Rot. Bonds7

About N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119757138) has the molecular formula C13H19BrClN3O3 and a molecular weight of 380.67 g/mol. Its IUPAC name is N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119757138
Molecular FormulaC13H19BrClN3O3
Molecular Weight380.67 g/mol
Exact Mass379.03
IUPAC NameN-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(Br)ccc1NC(C)=O.Cl
InChIInChI=1S/C13H18BrN3O3.ClH/c1-9(18)16-11-4-3-10(14)7-12(11)17-13(19)8-15-5-6-20-2;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyKNZOIGBALGXYLG-UHFFFAOYSA-N
XLogP2.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119762977
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide
CID 86786988
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119757138) is N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1cc(Br)ccc1NC(C)=O.Cl.
What is the InChIKey of N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is KNZOIGBALGXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3.ClH/c1-9(18)16-11-4-3-10(14)7-12(11)17-13(19)8-15-5-6-20-2;/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 380.67 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119757138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).