3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

C13H19BrCl2N2O — CID 119506421

IUPAC3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)CCc1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-2-16-7-8-17-13(18)6-3-10-9-11(15)4-5-12(10)14;/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,18);1H
InChIKeyCSWFBCLJVCXCPY-UHFFFAOYSA-N
MW370.12 g/mol
LogP3.18
Rot. Bonds7

About 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119506421) has the molecular formula C13H19BrCl2N2O and a molecular weight of 370.12 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
PubChem CID119506421
Molecular FormulaC13H19BrCl2N2O
Molecular Weight370.12 g/mol
Exact Mass368.01
IUPAC Name3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)CCc1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C13H18BrClN2O.ClH/c1-2-16-7-8-17-13(18)6-3-10-9-11(15)4-5-12(10)14;/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,18);1H
InChIKeyCSWFBCLJVCXCPY-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.12
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]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

Related Compounds

2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659
3-[3-(2-bromo-5-chlorophenyl)propanoyl-ethylamino]propanoic acid
CID 120685970
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (CID 119506421) is 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is CCNCCNC(=O)CCc1cc(Cl)ccc1Br.Cl.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is CSWFBCLJVCXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O.ClH/c1-2-16-7-8-17-13(18)6-3-10-9-11(15)4-5-12(10)14;/h4-5,9,16H,2-3,6-8H2,1H3,(H,17,18);1H.
What are the key properties of 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 370.12 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119506421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).