5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide

C13H10BrF2NOS — CID 103586267

IUPAC5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cc(C)c(Br)s2)cc1F
InChIInChI=1S/C13H10BrF2NOS/c1-6-3-9(16)10(5-8(6)15)17-13(18)11-4-7(2)12(14)19-11/h3-5H,1-2H3,(H,17,18)
InChIKeyBMHGQBMULHJMAR-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.66
Rot. Bonds2

About 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 103586267) has the molecular formula C13H10BrF2NOS and a molecular weight of 346.20 g/mol. Its IUPAC name is 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
PubChem CID103586267
Molecular FormulaC13H10BrF2NOS
Molecular Weight346.20 g/mol
Exact Mass344.96
IUPAC Name5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cc(C)c(Br)s2)cc1F
InChIInChI=1S/C13H10BrF2NOS/c1-6-3-9(16)10(5-8(6)15)17-13(18)11-4-7(2)12(14)19-11/h3-5H,1-2H3,(H,17,18)
InChIKeyBMHGQBMULHJMAR-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79947502
5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 103587004
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79953525
N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79975104
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide (CID 103586267) is 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide is Cc1cc(F)c(NC(=O)c2cc(C)c(Br)s2)cc1F.
What is the InChIKey of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is BMHGQBMULHJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NOS/c1-6-3-9(16)10(5-8(6)15)17-13(18)11-4-7(2)12(14)19-11/h3-5H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 346.20 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103586267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).