2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

C11H15BrCl2N2O — CID 119508533

IUPAC2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C11H14BrClN2O.ClH/c1-2-14-5-6-15-11(16)9-7-8(13)3-4-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyXLHQXSKEVXIINN-UHFFFAOYSA-N
MW342.06 g/mol
LogP2.86
Rot. Bonds5

About 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (PubChem CID 119508533) has the molecular formula C11H15BrCl2N2O and a molecular weight of 342.06 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
PubChem CID119508533
Molecular FormulaC11H15BrCl2N2O
Molecular Weight342.06 g/mol
Exact Mass339.97
IUPAC Name2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C11H14BrClN2O.ClH/c1-2-14-5-6-15-11(16)9-7-8(13)3-4-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyXLHQXSKEVXIINN-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.06
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461022
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
CID 78901898
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
CID 106254174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (CID 119508533) is 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is CCNCCNC(=O)c1cc(Cl)ccc1Br.Cl.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is XLHQXSKEVXIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O.ClH/c1-2-14-5-6-15-11(16)9-7-8(13)3-4-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H.
What are the key properties of 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 342.06 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119508533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).