2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide

C11H9Cl2NOS — CID 166432160

IUPAC2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide
SMILESO=C(CCl)NCc1csc2cccc(Cl)c12
InChIInChI=1S/C11H9Cl2NOS/c12-4-10(15)14-5-7-6-16-9-3-1-2-8(13)11(7)9/h1-3,6H,4-5H2,(H,14,15)
InChIKeyUDYNYAZIBNCSON-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide

2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide (PubChem CID 166432160) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide
PubChem CID166432160
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide
SMILESO=C(CCl)NCc1csc2cccc(Cl)c12
InChIInChI=1S/C11H9Cl2NOS/c12-4-10(15)14-5-7-6-16-9-3-1-2-8(13)11(7)9/h1-3,6H,4-5H2,(H,14,15)
InChIKeyUDYNYAZIBNCSON-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
2-chloro-3-[[(2-chloroacetyl)amino]methyl]benzoic acid
CID 119094730
methyl 4-chloro-1-benzothiophene-3-carboxylate
CID 76854084
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
CID 23072664
2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
CID 65468569
2-chloro-N-[(3-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166430876
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide (CID 166432160) is 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide is O=C(CCl)NCc1csc2cccc(Cl)c12.
What is the InChIKey of 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide?
The InChIKey is UDYNYAZIBNCSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c12-4-10(15)14-5-7-6-16-9-3-1-2-8(13)11(7)9/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide?
2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide has a molecular weight of 274.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide is sourced from PubChem (CID 166432160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).