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

C12H9BrFNOS — CID 62812532

IUPAC5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc(Br)c2)ccc1F
InChIInChI=1S/C12H9BrFNOS/c1-7-4-9(2-3-10(7)14)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyHXGNOYHPJBQLBA-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.21
Rot. Bonds2

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

5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide (PubChem CID 62812532) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
PubChem CID62812532
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc(Br)c2)ccc1F
InChIInChI=1S/C12H9BrFNOS/c1-7-4-9(2-3-10(7)14)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyHXGNOYHPJBQLBA-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-(4-fluoro-3-methylphenyl)thiophene-3-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-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide (CID 62812532) is 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide is Cc1cc(NC(=O)c2csc(Br)c2)ccc1F.
What is the InChIKey of 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide?
The InChIKey is HXGNOYHPJBQLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-7-4-9(2-3-10(7)14)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide?
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-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-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 62812532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).