N-(3-benzoylthiophen-2-yl)-2-chloroacetamide

C13H10ClNO2S — CID 819037

IUPACN-(3-benzoylthiophen-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10ClNO2S/c14-8-11(16)15-13-10(6-7-18-13)12(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyBJVLPJWFHQXLPZ-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.16
Rot. Bonds4

About N-(3-benzoylthiophen-2-yl)-2-chloroacetamide

N-(3-benzoylthiophen-2-yl)-2-chloroacetamide (PubChem CID 819037) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is N-(3-benzoylthiophen-2-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-benzoylthiophen-2-yl)-2-chloroacetamide
PubChem CID819037
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC NameN-(3-benzoylthiophen-2-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10ClNO2S/c14-8-11(16)15-13-10(6-7-18-13)12(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyBJVLPJWFHQXLPZ-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3-benzoylthiophen-2-yl)-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylthiophen-2-yl)-2-chloroacetamide?
The IUPAC name of N-(3-benzoylthiophen-2-yl)-2-chloroacetamide (CID 819037) is N-(3-benzoylthiophen-2-yl)-2-chloroacetamide.
What is the SMILES notation for N-(3-benzoylthiophen-2-yl)-2-chloroacetamide?
The canonical SMILES for N-(3-benzoylthiophen-2-yl)-2-chloroacetamide is O=C(CCl)Nc1sccc1C(=O)c1ccccc1.
What is the InChIKey of N-(3-benzoylthiophen-2-yl)-2-chloroacetamide?
The InChIKey is BJVLPJWFHQXLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-8-11(16)15-13-10(6-7-18-13)12(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of N-(3-benzoylthiophen-2-yl)-2-chloroacetamide?
N-(3-benzoylthiophen-2-yl)-2-chloroacetamide has a molecular weight of 279.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylthiophen-2-yl)-2-chloroacetamide is sourced from PubChem (CID 819037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).