2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide

C12H15BrClNOS — CID 115381256

IUPAC2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1sccc1Br
InChIInChI=1S/C12H15BrClNOS/c13-9-6-7-17-11(9)10(14)12(16)15-8-4-2-1-3-5-8/h6-8,10H,1-5H2,(H,15,16)
InChIKeyNODPSPOXUOKYMU-UHFFFAOYSA-N
MW336.68 g/mol
LogP4.24
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide

2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide (PubChem CID 115381256) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
PubChem CID115381256
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC Name2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(Cl)c1sccc1Br
InChIInChI=1S/C12H15BrClNOS/c13-9-6-7-17-11(9)10(14)12(16)15-8-4-2-1-3-5-8/h6-8,10H,1-5H2,(H,15,16)
InChIKeyNODPSPOXUOKYMU-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide (CID 115381256) is 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide is O=C(NC1CCCCC1)C(Cl)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide?
The InChIKey is NODPSPOXUOKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c13-9-6-7-17-11(9)10(14)12(16)15-8-4-2-1-3-5-8/h6-8,10H,1-5H2,(H,15,16).
What are the key properties of 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide?
2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide has a molecular weight of 336.68 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide is sourced from PubChem (CID 115381256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).