5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide

C13H10Br2FNOS — CID 107592608

IUPAC5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H10Br2FNOS/c1-6-3-9(16)8(14)5-10(6)17-13(18)11-4-7(2)12(15)19-11/h3-5H,1-2H3,(H,17,18)
InChIKeyXLNAIJXHPGQFQH-UHFFFAOYSA-N
MW407.10 g/mol
LogP5.28
Rot. Bonds2

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

5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 107592608) has the molecular formula C13H10Br2FNOS and a molecular weight of 407.10 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
PubChem CID107592608
Molecular FormulaC13H10Br2FNOS
Molecular Weight407.10 g/mol
Exact Mass404.88
IUPAC Name5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H10Br2FNOS/c1-6-3-9(16)8(14)5-10(6)17-13(18)11-4-7(2)12(15)19-11/h3-5H,1-2H3,(H,17,18)
InChIKeyXLNAIJXHPGQFQH-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.10
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-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-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
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-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107593947
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide (CID 107592608) is 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is XLNAIJXHPGQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNOS/c1-6-3-9(16)8(14)5-10(6)17-13(18)11-4-7(2)12(15)19-11/h3-5H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 407.10 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 107592608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).