5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride

C9H14BrClN2O2 — CID 119505166

IUPAC5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C9H13BrN2O2.ClH/c1-2-11-5-6-12-9(13)7-3-4-8(10)14-7;/h3-4,11H,2,5-6H2,1H3,(H,12,13);1H
InChIKeyWBIAGIVVLWNAFJ-UHFFFAOYSA-N
MW297.58 g/mol
LogP1.80
Rot. Bonds5

About 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride

5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 119505166) has the molecular formula C9H14BrClN2O2 and a molecular weight of 297.58 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
PubChem CID119505166
Molecular FormulaC9H14BrClN2O2
Molecular Weight297.58 g/mol
Exact Mass295.99
IUPAC Name5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C9H13BrN2O2.ClH/c1-2-11-5-6-12-9(13)7-3-4-8(10)14-7;/h3-4,11H,2,5-6H2,1H3,(H,12,13);1H
InChIKeyWBIAGIVVLWNAFJ-UHFFFAOYSA-N
XLogP1.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108537811
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
CID 3670554
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
[4-[2-[(5-bromofuran-2-carbonyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537549
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride (CID 119505166) is 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride is CCNCCNC(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is WBIAGIVVLWNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2.ClH/c1-2-11-5-6-12-9(13)7-3-4-8(10)14-7;/h3-4,11H,2,5-6H2,1H3,(H,12,13);1H.
What are the key properties of 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 297.58 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119505166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).