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

C8H8Cl3NO2 — CID 3058408

IUPAC2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)o1)C(=O)C(Cl)Cl
InChIInChI=1S/C8H8Cl3NO2/c1-12(8(13)7(10)11)4-5-2-3-6(9)14-5/h2-3,7H,4H2,1H3
InChIKeyQXQOSNKAVGMQCW-UHFFFAOYSA-N
MW256.52 g/mol
LogP2.70
Rot. Bonds3

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

2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide (PubChem CID 3058408) has the molecular formula C8H8Cl3NO2 and a molecular weight of 256.52 g/mol. Its IUPAC name is 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide
PubChem CID3058408
Molecular FormulaC8H8Cl3NO2
Molecular Weight256.52 g/mol
Exact Mass254.96
IUPAC Name2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)o1)C(=O)C(Cl)Cl
InChIInChI=1S/C8H8Cl3NO2/c1-12(8(13)7(10)11)4-5-2-3-6(9)14-5/h2-3,7H,4H2,1H3
InChIKeyQXQOSNKAVGMQCW-UHFFFAOYSA-N
XLogP2.70
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 52.70
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-methylacetamide?
The IUPAC name of 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide (CID 3058408) is 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)o1)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide?
The InChIKey is QXQOSNKAVGMQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO2/c1-12(8(13)7(10)11)4-5-2-3-6(9)14-5/h2-3,7H,4H2,1H3.
What are the key properties of 2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide?
2,2-dichloro-N-[(5-chlorofuran-2-yl)methyl]-N-methylacetamide has a molecular weight of 256.52 g/mol, XLogP of 2.70, 3 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-methylacetamide is sourced from PubChem (CID 3058408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).