2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide

C7H6Cl3NOS — CID 130649464

IUPAC2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl3NOS/c1-11-7(12)5(9)3-2-4(8)13-6(3)10/h2,5H,1H3,(H,11,12)
InChIKeyYPQOZFBJKRRNJX-UHFFFAOYSA-N
MW258.56 g/mol
LogP3.08
Rot. Bonds2

About 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide

2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide (PubChem CID 130649464) has the molecular formula C7H6Cl3NOS and a molecular weight of 258.56 g/mol. Its IUPAC name is 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide
PubChem CID130649464
Molecular FormulaC7H6Cl3NOS
Molecular Weight258.56 g/mol
Exact Mass256.92
IUPAC Name2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide
SMILESCNC(=O)C(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl3NOS/c1-11-7(12)5(9)3-2-4(8)13-6(3)10/h2,5H,1H3,(H,11,12)
InChIKeyYPQOZFBJKRRNJX-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.56
LogP ≤ 53.08
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-chloro-2-(2,5-dichlorothiophen-3-yl)acetamide
CID 130673602
2-chloro-2-(3,5-dichlorophenyl)-N-methylacetamide
CID 62225121
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
2-(2-aminophenyl)-2-chloro-N-methylacetamide
CID 155233545
2-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-4-methylpentanoic acid
CID 114082706
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
CID 63669080
2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
CID 130992769
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
2-chloro-N-methyl-2-thiophen-2-ylacetamide
CID 10103980
3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
CID 63444629
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide?
The IUPAC name of 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide (CID 130649464) is 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide?
The canonical SMILES for 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide is CNC(=O)C(Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide?
The InChIKey is YPQOZFBJKRRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3NOS/c1-11-7(12)5(9)3-2-4(8)13-6(3)10/h2,5H,1H3,(H,11,12).
What are the key properties of 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide?
2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide has a molecular weight of 258.56 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide is sourced from PubChem (CID 130649464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).