N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide

C13H11BrClNOS — CID 62998518

IUPACN-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2Cl)sc1C
InChIInChI=1S/C13H11BrClNOS/c1-7-5-12(18-8(7)2)13(17)16-11-6-9(14)3-4-10(11)15/h3-6H,1-2H3,(H,16,17)
InChIKeyWMOZDESAFOJYAG-UHFFFAOYSA-N
MW344.66 g/mol
LogP5.03
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide

N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 62998518) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID62998518
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC NameN-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2Cl)sc1C
InChIInChI=1S/C13H11BrClNOS/c1-7-5-12(18-8(7)2)13(17)16-11-6-9(14)3-4-10(11)15/h3-6H,1-2H3,(H,16,17)
InChIKeyWMOZDESAFOJYAG-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

5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 104880459
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
N-(5-bromo-2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 62908077
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
N-(5-bromo-2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63531172
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
CID 54955521

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 62998518) is N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cc(Br)ccc2Cl)sc1C.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is WMOZDESAFOJYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c1-7-5-12(18-8(7)2)13(17)16-11-6-9(14)3-4-10(11)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-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-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 62998518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).