2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide

C11H17ClN2O3 — CID 106812685

IUPAC2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
SMILESCN(C)CCOCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H17ClN2O3/c1-14(2)5-8-16-7-4-13-11(15)9-3-6-17-10(9)12/h3,6H,4-5,7-8H2,1-2H3,(H,13,15)
InChIKeyNXPPKGYYNUMSMA-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.24
Rot. Bonds7

About 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide

2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide (PubChem CID 106812685) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
PubChem CID106812685
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
SMILESCN(C)CCOCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H17ClN2O3/c1-14(2)5-8-16-7-4-13-11(15)9-3-6-17-10(9)12/h3,6H,4-5,7-8H2,1-2H3,(H,13,15)
InChIKeyNXPPKGYYNUMSMA-UHFFFAOYSA-N
XLogP1.24
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide
CID 104939248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide (CID 106812685) is 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide is CN(C)CCOCCNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide?
The InChIKey is NXPPKGYYNUMSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-14(2)5-8-16-7-4-13-11(15)9-3-6-17-10(9)12/h3,6H,4-5,7-8H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide?
2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide is sourced from PubChem (CID 106812685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).