5-(2-bromoacetyl)thiophene-2-carboxamide

C7H6BrNO2S — CID 20550935

IUPAC5-(2-bromoacetyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)CBr)s1
InChIInChI=1S/C7H6BrNO2S/c8-3-4(10)5-1-2-6(12-5)7(9)11/h1-2H,3H2,(H2,9,11)
InChIKeyUEIAQIIRSAGLJM-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.42
Rot. Bonds3

About 5-(2-bromoacetyl)thiophene-2-carboxamide

5-(2-bromoacetyl)thiophene-2-carboxamide (PubChem CID 20550935) has the molecular formula C7H6BrNO2S and a molecular weight of 248.10 g/mol. Its IUPAC name is 5-(2-bromoacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoacetyl)thiophene-2-carboxamide
PubChem CID20550935
Molecular FormulaC7H6BrNO2S
Molecular Weight248.10 g/mol
Exact Mass246.93
IUPAC Name5-(2-bromoacetyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)CBr)s1
InChIInChI=1S/C7H6BrNO2S/c8-3-4(10)5-1-2-6(12-5)7(9)11/h1-2H,3H2,(H2,9,11)
InChIKeyUEIAQIIRSAGLJM-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2-bromoacetyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-bromoacetyl)thiophene-2-carboxamide (CID 20550935) is 5-(2-bromoacetyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-bromoacetyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-bromoacetyl)thiophene-2-carboxamide is NC(=O)c1ccc(C(=O)CBr)s1.
What is the InChIKey of 5-(2-bromoacetyl)thiophene-2-carboxamide?
The InChIKey is UEIAQIIRSAGLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2S/c8-3-4(10)5-1-2-6(12-5)7(9)11/h1-2H,3H2,(H2,9,11).
What are the key properties of 5-(2-bromoacetyl)thiophene-2-carboxamide?
5-(2-bromoacetyl)thiophene-2-carboxamide has a molecular weight of 248.10 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 20550935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).