N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride

C12H18BrClN2O2 — CID 6603388

IUPACN-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride
SMILESCOCCNC(C)C(=O)Nc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(14-7-8-17-2)12(16)15-11-5-3-10(13)4-6-11;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyMNLIEIDCMISWBH-UHFFFAOYSA-N
MW337.65 g/mol
LogP2.43
Rot. Bonds6

About N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride

N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride (PubChem CID 6603388) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride
PubChem CID6603388
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC NameN-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride
SMILESCOCCNC(C)C(=O)Nc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(14-7-8-17-2)12(16)15-11-5-3-10(13)4-6-11;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyMNLIEIDCMISWBH-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride (CID 6603388) is N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride is COCCNC(C)C(=O)Nc1ccc(Br)cc1.Cl.
What is the InChIKey of N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride?
The InChIKey is MNLIEIDCMISWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-9(14-7-8-17-2)12(16)15-11-5-3-10(13)4-6-11;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride?
N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-methoxyethylamino)propanamide;hydrochloride is sourced from PubChem (CID 6603388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).