2-chloro-N-(5-chlorothiophen-2-yl)acetamide

C6H5Cl2NOS — CID 69451348

IUPAC2-chloro-N-(5-chlorothiophen-2-yl)acetamide
SMILESO=C(CCl)Nc1ccc(Cl)s1
InChIInChI=1S/C6H5Cl2NOS/c7-3-5(10)9-6-2-1-4(8)11-6/h1-2H,3H2,(H,9,10)
InChIKeyATBDNQJOXMFWIT-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.58
Rot. Bonds2

About 2-chloro-N-(5-chlorothiophen-2-yl)acetamide

2-chloro-N-(5-chlorothiophen-2-yl)acetamide (PubChem CID 69451348) has the molecular formula C6H5Cl2NOS and a molecular weight of 210.09 g/mol. Its IUPAC name is 2-chloro-N-(5-chlorothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-chlorothiophen-2-yl)acetamide
PubChem CID69451348
Molecular FormulaC6H5Cl2NOS
Molecular Weight210.09 g/mol
Exact Mass208.95
IUPAC Name2-chloro-N-(5-chlorothiophen-2-yl)acetamide
SMILESO=C(CCl)Nc1ccc(Cl)s1
InChIInChI=1S/C6H5Cl2NOS/c7-3-5(10)9-6-2-1-4(8)11-6/h1-2H,3H2,(H,9,10)
InChIKeyATBDNQJOXMFWIT-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.58
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-N-(5-chlorothiophen-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-chlorothiophen-2-yl)acetamide (CID 69451348) is 2-chloro-N-(5-chlorothiophen-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-chlorothiophen-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-chlorothiophen-2-yl)acetamide is O=C(CCl)Nc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-(5-chlorothiophen-2-yl)acetamide?
The InChIKey is ATBDNQJOXMFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NOS/c7-3-5(10)9-6-2-1-4(8)11-6/h1-2H,3H2,(H,9,10).
What are the key properties of 2-chloro-N-(5-chlorothiophen-2-yl)acetamide?
2-chloro-N-(5-chlorothiophen-2-yl)acetamide has a molecular weight of 210.09 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chlorothiophen-2-yl)acetamide is sourced from PubChem (CID 69451348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).