5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide

C10H15ClN2O2 — CID 62659012

IUPAC5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
SMILESCCCNCCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H15ClN2O2/c1-2-5-12-6-7-13-10(14)8-3-4-9(11)15-8/h3-4,12H,2,5-7H2,1H3,(H,13,14)
InChIKeyUPMYNRBVSAEOOZ-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.66
Rot. Bonds6

About 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide

5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide (PubChem CID 62659012) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
PubChem CID62659012
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
SMILESCCCNCCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H15ClN2O2/c1-2-5-12-6-7-13-10(14)8-3-4-9(11)15-8/h3-4,12H,2,5-7H2,1H3,(H,13,14)
InChIKeyUPMYNRBVSAEOOZ-UHFFFAOYSA-N
XLogP1.66
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.66
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-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
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-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 33329592
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide (CID 62659012) is 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide is CCCNCCNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide?
The InChIKey is UPMYNRBVSAEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-2-5-12-6-7-13-10(14)8-3-4-9(11)15-8/h3-4,12H,2,5-7H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide has a molecular weight of 230.69 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 62659012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).