2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride

C11H15BrClFN2O — CID 119507213

IUPAC2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(F)cc1Br.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(13)7-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyQMNGPPJZNKKIGR-UHFFFAOYSA-N
MW325.61 g/mol
LogP2.35
Rot. Bonds5

About 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride

2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119507213) has the molecular formula C11H15BrClFN2O and a molecular weight of 325.61 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
PubChem CID119507213
Molecular FormulaC11H15BrClFN2O
Molecular Weight325.61 g/mol
Exact Mass324.00
IUPAC Name2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(F)cc1Br.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(13)7-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H
InChIKeyQMNGPPJZNKKIGR-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'}

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Related Compounds

2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 83120854
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-bromo-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-fluorobenzamide
CID 95167793
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
2-bromo-4-fluoro-N-(4,4,4-trifluorobutyl)benzamide
CID 79039788
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride (CID 119507213) is 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride is CCNCCNC(=O)c1ccc(F)cc1Br.Cl.
What is the InChIKey of 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is QMNGPPJZNKKIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.ClH/c1-2-14-5-6-15-11(16)9-4-3-8(13)7-10(9)12;/h3-4,7,14H,2,5-6H2,1H3,(H,15,16);1H.
What are the key properties of 2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
2-bromo-N-[2-(ethylamino)ethyl]-4-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]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119507213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).