5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide

C12H8BrF2NOS — CID 82818843

IUPAC5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(Br)s2)c1F
InChIInChI=1S/C12H8BrF2NOS/c1-6-2-3-7(14)11(10(6)15)16-12(17)8-4-5-9(13)18-8/h2-5H,1H3,(H,16,17)
InChIKeyJNSHRENGXVYBLT-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide

5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide (PubChem CID 82818843) has the molecular formula C12H8BrF2NOS and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
PubChem CID82818843
Molecular FormulaC12H8BrF2NOS
Molecular Weight332.17 g/mol
Exact Mass330.95
IUPAC Name5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(Br)s2)c1F
InChIInChI=1S/C12H8BrF2NOS/c1-6-2-3-7(14)11(10(6)15)16-12(17)8-4-5-9(13)18-8/h2-5H,1H3,(H,16,17)
InChIKeyJNSHRENGXVYBLT-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(2,6-difluoro-3-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

Related Compounds

5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide
CID 115909286
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
5-bromo-N-(5-bromo-2-fluorophenyl)thiophene-2-carboxamide
CID 61076675
5-bromo-N-(2-fluoro-6-nitrophenyl)thiophene-2-carboxamide
CID 81311760
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
5-bromo-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 103774691
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide (CID 82818843) is 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide is Cc1ccc(F)c(NC(=O)c2ccc(Br)s2)c1F.
What is the InChIKey of 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is JNSHRENGXVYBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NOS/c1-6-2-3-7(14)11(10(6)15)16-12(17)8-4-5-9(13)18-8/h2-5H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide?
5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 332.17 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 82818843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).