2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide

C9H10Cl3NO2 — CID 3058409

IUPAC2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)o1)C(=O)C(Cl)Cl
InChIInChI=1S/C9H10Cl3NO2/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3
InChIKeyFDYZUFQDYVFFFC-UHFFFAOYSA-N
MW270.54 g/mol
LogP3.09
Rot. Bonds4

About 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide

2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide (PubChem CID 3058409) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide
PubChem CID3058409
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Name2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)o1)C(=O)C(Cl)Cl
InChIInChI=1S/C9H10Cl3NO2/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3
InChIKeyFDYZUFQDYVFFFC-UHFFFAOYSA-N
XLogP3.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 53.09
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 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide (CID 3058409) is 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Cl)o1)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide?
The InChIKey is FDYZUFQDYVFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO2/c1-2-13(9(14)8(11)12)5-6-3-4-7(10)15-6/h3-4,8H,2,5H2,1H3.
What are the key properties of 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide?
2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide has a molecular weight of 270.54 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 3058409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).