2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide

C6H4Cl3NOS — CID 130673602

IUPAC2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide
SMILESNC(=O)C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H4Cl3NOS/c7-3-1-2(5(9)12-3)4(8)6(10)11/h1,4H,(H2,10,11)
InChIKeyVFEDXPMPPFVOLB-UHFFFAOYSA-N
MW244.53 g/mol
LogP2.82
Rot. Bonds2

About 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide

2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide (PubChem CID 130673602) has the molecular formula C6H4Cl3NOS and a molecular weight of 244.53 g/mol. Its IUPAC name is 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide
PubChem CID130673602
Molecular FormulaC6H4Cl3NOS
Molecular Weight244.53 g/mol
Exact Mass242.91
IUPAC Name2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide
SMILESNC(=O)C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H4Cl3NOS/c7-3-1-2(5(9)12-3)4(8)6(10)11/h1,4H,(H2,10,11)
InChIKeyVFEDXPMPPFVOLB-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
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-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide?
The IUPAC name of 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide (CID 130673602) is 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide?
The canonical SMILES for 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide is NC(=O)C(Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide?
The InChIKey is VFEDXPMPPFVOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NOS/c7-3-1-2(5(9)12-3)4(8)6(10)11/h1,4H,(H2,10,11).
What are the key properties of 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide?
2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide has a molecular weight of 244.53 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide is sourced from PubChem (CID 130673602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).