2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide

C13H9Cl2NO2S — CID 1488530

IUPAC2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H9Cl2NO2S/c14-7-1-3-9(10(15)5-7)13(18)11-4-2-8(19-11)6-12(16)17/h1-5H,6H2,(H2,16,17)
InChIKeyGZCNCVVHSWNLIE-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.31
Rot. Bonds4

About 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide

2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide (PubChem CID 1488530) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide
PubChem CID1488530
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H9Cl2NO2S/c14-7-1-3-9(10(15)5-7)13(18)11-4-2-8(19-11)6-12(16)17/h1-5H,6H2,(H2,16,17)
InChIKeyGZCNCVVHSWNLIE-UHFFFAOYSA-N
XLogP3.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide (CID 1488530) is 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide is NC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide?
The InChIKey is GZCNCVVHSWNLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-7-1-3-9(10(15)5-7)13(18)11-4-2-8(19-11)6-12(16)17/h1-5H,6H2,(H2,16,17).
What are the key properties of 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide?
2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide has a molecular weight of 314.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorobenzoyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 1488530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).