2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride

C11H15BrClFN2O — CID 119509128

IUPAC2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1c(F)cccc1Br.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-2-14-6-7-15-11(16)10-8(12)4-3-5-9(10)13;/h3-5,14H,2,6-7H2,1H3,(H,15,16);1H
InChIKeyBPCXEZNWSOSRGO-UHFFFAOYSA-N
MW325.61 g/mol
LogP2.35
Rot. Bonds5

About 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride

2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride (PubChem CID 119509128) has the molecular formula C11H15BrClFN2O and a molecular weight of 325.61 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
PubChem CID119509128
Molecular FormulaC11H15BrClFN2O
Molecular Weight325.61 g/mol
Exact Mass324.00
IUPAC Name2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1c(F)cccc1Br.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-2-14-6-7-15-11(16)10-8(12)4-3-5-9(10)13;/h3-5,14H,2,6-7H2,1H3,(H,15,16);1H
InChIKeyBPCXEZNWSOSRGO-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;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-N-butyl-6-fluorobenzamide
CID 115678075
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 115679118
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride
CID 119508620
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
CID 119505079
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride?
The IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride (CID 119509128) is 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride is CCNCCNC(=O)c1c(F)cccc1Br.Cl.
What is the InChIKey of 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride?
The InChIKey is BPCXEZNWSOSRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.ClH/c1-2-14-6-7-15-11(16)10-8(12)4-3-5-9(10)13;/h3-5,14H,2,6-7H2,1H3,(H,15,16);1H.
What are the key properties of 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride?
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride has a molecular weight of 325.61 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119509128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).