N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide

C13H11BrClNOS — CID 104723964

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2sccc2C)cc1Cl
InChIInChI=1S/C13H11BrClNOS/c1-7-3-4-18-12(7)13(17)16-11-6-10(15)8(2)5-9(11)14/h3-6H,1-2H3,(H,16,17)
InChIKeyAWCRLRPPBRNKIS-UHFFFAOYSA-N
MW344.66 g/mol
LogP5.03
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 104723964) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID104723964
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2sccc2C)cc1Cl
InChIInChI=1S/C13H11BrClNOS/c1-7-3-4-18-12(7)13(17)16-11-6-10(15)8(2)5-9(11)14/h3-6H,1-2H3,(H,16,17)
InChIKeyAWCRLRPPBRNKIS-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 43548778
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide (CID 104723964) is N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide is Cc1cc(Br)c(NC(=O)c2sccc2C)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is AWCRLRPPBRNKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c1-7-3-4-18-12(7)13(17)16-11-6-10(15)8(2)5-9(11)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 344.66 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 104723964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).