5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide

C11H7BrFNOS — CID 1247235

IUPAC5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C11H7BrFNOS/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChIKeyIMZRUHZOKVLDAW-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.90
Rot. Bonds2

About 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide

5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide (PubChem CID 1247235) has the molecular formula C11H7BrFNOS and a molecular weight of 300.15 g/mol. Its IUPAC name is 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide
PubChem CID1247235
Molecular FormulaC11H7BrFNOS
Molecular Weight300.15 g/mol
Exact Mass298.94
IUPAC Name5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C11H7BrFNOS/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChIKeyIMZRUHZOKVLDAW-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide (CID 1247235) is 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is IMZRUHZOKVLDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNOS/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15).
What are the key properties of 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide?
5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 300.15 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1247235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).