N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C12H18BrClN2O2 — CID 119702529

IUPACN-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-17-7-6-14-9-12(16)15-8-10-2-4-11(13)5-3-10;/h2-5,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyYQUQFXVYJUZUFN-UHFFFAOYSA-N
MW337.65 g/mol
LogP1.72
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119702529) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119702529
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-17-7-6-14-9-12(16)15-8-10-2-4-11(13)5-3-10;/h2-5,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyYQUQFXVYJUZUFN-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide;hydrochloride
CID 119780941
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780942
3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722835
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700864
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119702529) is N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is YQUQFXVYJUZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-17-7-6-14-9-12(16)15-8-10-2-4-11(13)5-3-10;/h2-5,14H,6-9H2,1H3,(H,15,16);1H.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119702529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).