2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide

C9H11BrClNOS — CID 102844189

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide
SMILESCc1sc(C(Cl)C(=O)N(C)C)cc1Br
InChIInChI=1S/C9H11BrClNOS/c1-5-6(10)4-7(14-5)8(11)9(13)12(2)3/h4,8H,1-3H3
InChIKeyFHRMCBSQMNUPEI-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide

2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide (PubChem CID 102844189) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide
PubChem CID102844189
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide
SMILESCc1sc(C(Cl)C(=O)N(C)C)cc1Br
InChIInChI=1S/C9H11BrClNOS/c1-5-6(10)4-7(14-5)8(11)9(13)12(2)3/h4,8H,1-3H3
InChIKeyFHRMCBSQMNUPEI-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-1-pyrrolidin-1-ylethanone
CID 102844195
2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
CID 102844190
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
2-(4-bromo-5-methylthiophen-2-yl)-2-chloroacetonitrile
CID 102843700
2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide
CID 62225534
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
2-(4-bromo-5-methylthiophen-2-yl)-2-(dimethylamino)acetonitrile
CID 102843213
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
CID 107965047
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide (CID 102844189) is 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide is Cc1sc(C(Cl)C(=O)N(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide?
The InChIKey is FHRMCBSQMNUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-5-6(10)4-7(14-5)8(11)9(13)12(2)3/h4,8H,1-3H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide?
2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide has a molecular weight of 296.62 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-N,N-dimethylacetamide is sourced from PubChem (CID 102844189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).