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

C9H14Cl2N2O2 — CID 119508521

IUPAC5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Cl)o1.Cl
InChIInChI=1S/C9H13ClN2O2.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
InChIKeyCZNMXSQJWZTRMM-UHFFFAOYSA-N
MW253.13 g/mol
LogP1.69
Rot. Bonds5

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

5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 119508521) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
PubChem CID119508521
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Name5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Cl)o1.Cl
InChIInChI=1S/C9H13ClN2O2.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
InChIKeyCZNMXSQJWZTRMM-UHFFFAOYSA-N
XLogP1.69
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.69
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-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride (CID 119508521) is 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride is CCNCCNC(=O)c1ccc(Cl)o1.Cl.
What is the InChIKey of 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is CZNMXSQJWZTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2.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-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride?
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 253.13 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119508521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).