5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide

C12H9BrFNOS — CID 26710584

IUPAC5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)s2)cc1F
InChIInChI=1S/C12H9BrFNOS/c1-7-2-3-8(6-9(7)14)15-12(16)10-4-5-11(13)17-10/h2-6H,1H3,(H,15,16)
InChIKeyXCEFCKFVFIQVAY-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.21
Rot. Bonds2

About 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide

5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide (PubChem CID 26710584) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide
PubChem CID26710584
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)s2)cc1F
InChIInChI=1S/C12H9BrFNOS/c1-7-2-3-8(6-9(7)14)15-12(16)10-4-5-11(13)17-10/h2-6H,1H3,(H,15,16)
InChIKeyXCEFCKFVFIQVAY-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide (CID 26710584) is 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Br)s2)cc1F.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is XCEFCKFVFIQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-7-2-3-8(6-9(7)14)15-12(16)10-4-5-11(13)17-10/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide?
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 4.21, 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-fluoro-4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 26710584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).