2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide

C11H14Br2N2O — CID 114374303

IUPAC2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-2-14-5-6-15-11(16)9-7-8(12)3-4-10(9)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyVQLJBOMEXUBNTJ-UHFFFAOYSA-N
MW350.05 g/mol
LogP2.55
Rot. Bonds5

About 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide

2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 114374303) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
PubChem CID114374303
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-2-14-5-6-15-11(16)9-7-8(12)3-4-10(9)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyVQLJBOMEXUBNTJ-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 52.55
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-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
2,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 114370284
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 119013862
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide (CID 114374303) is 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is VQLJBOMEXUBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-2-14-5-6-15-11(16)9-7-8(12)3-4-10(9)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide?
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 350.05 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 114374303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).