2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide

C10H13Cl2NOS — CID 115162258

IUPAC2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CCl)c1ccc(Cl)s1
InChIInChI=1S/C10H13Cl2NOS/c1-10(2,6-13-9(14)5-11)7-3-4-8(12)15-7/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyNARLIAQUMCFBOP-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.03
Rot. Bonds4

About 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide

2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide (PubChem CID 115162258) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
PubChem CID115162258
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CCl)c1ccc(Cl)s1
InChIInChI=1S/C10H13Cl2NOS/c1-10(2,6-13-9(14)5-11)7-3-4-8(12)15-7/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyNARLIAQUMCFBOP-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.03
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-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
CID 166407428
2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
CID 175366579
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide
CID 115158596

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide (CID 115162258) is 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)CCl)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide?
The InChIKey is NARLIAQUMCFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-10(2,6-13-9(14)5-11)7-3-4-8(12)15-7/h3-4H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide?
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide has a molecular weight of 266.19 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115162258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).