5-(chloromethyl)-N,N-diethylfuran-3-carboxamide

C10H14ClNO2 — CID 15397191

IUPAC5-(chloromethyl)-N,N-diethylfuran-3-carboxamide
SMILESCCN(CC)C(=O)c1coc(CCl)c1
InChIInChI=1S/C10H14ClNO2/c1-3-12(4-2)10(13)8-5-9(6-11)14-7-8/h5,7H,3-4,6H2,1-2H3
InChIKeyKENSFLCPFMBTBE-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.50
Rot. Bonds4

About 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide

5-(chloromethyl)-N,N-diethylfuran-3-carboxamide (PubChem CID 15397191) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N,N-diethylfuran-3-carboxamide
PubChem CID15397191
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name5-(chloromethyl)-N,N-diethylfuran-3-carboxamide
SMILESCCN(CC)C(=O)c1coc(CCl)c1
InChIInChI=1S/C10H14ClNO2/c1-3-12(4-2)10(13)8-5-9(6-11)14-7-8/h5,7H,3-4,6H2,1-2H3
InChIKeyKENSFLCPFMBTBE-UHFFFAOYSA-N
XLogP2.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide?
The IUPAC name of 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide (CID 15397191) is 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide is CCN(CC)C(=O)c1coc(CCl)c1.
What is the InChIKey of 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide?
The InChIKey is KENSFLCPFMBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-12(4-2)10(13)8-5-9(6-11)14-7-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide?
5-(chloromethyl)-N,N-diethylfuran-3-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,N-diethylfuran-3-carboxamide is sourced from PubChem (CID 15397191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).