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

C8H12BrClN2O2 — CID 119500440

IUPAC5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C8H11BrN2O2.ClH/c1-10-4-5-11-8(12)6-2-3-7(9)13-6;/h2-3,10H,4-5H2,1H3,(H,11,12);1H
InChIKeyXAWKABCONDKSNV-UHFFFAOYSA-N
MW283.55 g/mol
LogP1.41
Rot. Bonds4

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

5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 119500440) has the molecular formula C8H12BrClN2O2 and a molecular weight of 283.55 g/mol. Its IUPAC name is 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
PubChem CID119500440
Molecular FormulaC8H12BrClN2O2
Molecular Weight283.55 g/mol
Exact Mass281.98
IUPAC Name5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(Br)o1.Cl
InChIInChI=1S/C8H11BrN2O2.ClH/c1-10-4-5-11-8(12)6-2-3-7(9)13-6;/h2-3,10H,4-5H2,1H3,(H,11,12);1H
InChIKeyXAWKABCONDKSNV-UHFFFAOYSA-N
XLogP1.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 51.41
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-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
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-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
5-bromo-N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108539867
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
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
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-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride (CID 119500440) is 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride is CNCCNC(=O)c1ccc(Br)o1.Cl.
What is the InChIKey of 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is XAWKABCONDKSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2.ClH/c1-10-4-5-11-8(12)6-2-3-7(9)13-6;/h2-3,10H,4-5H2,1H3,(H,11,12);1H.
What are the key properties of 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride?
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 283.55 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119500440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).