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

C12H9BrFNOS — CID 43424569

IUPAC5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(Br)c2)c(F)c1
InChIInChI=1S/C12H9BrFNOS/c1-7-2-3-10(9(14)4-7)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyRAHKQOZQWONUHB-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.21
Rot. Bonds2

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

5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide (PubChem CID 43424569) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
PubChem CID43424569
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(Br)c2)c(F)c1
InChIInChI=1S/C12H9BrFNOS/c1-7-2-3-10(9(14)4-7)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyRAHKQOZQWONUHB-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

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Related Compounds

5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylbenzoate
CID 43623715
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 39134325
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide (CID 43424569) is 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide is Cc1ccc(NC(=O)c2csc(Br)c2)c(F)c1.
What is the InChIKey of 5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is RAHKQOZQWONUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-7-2-3-10(9(14)4-7)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-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide?
5-bromo-N-(2-fluoro-4-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-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).