N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide

C13H13BrN2OS — CID 43548068

IUPACN-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1C
InChIInChI=1S/C13H13BrN2OS/c1-7-3-4-9(15)12(8(7)2)16-13(17)10-5-6-11(14)18-10/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRINUGUVAPJBEGK-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.96
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide

N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide (PubChem CID 43548068) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
PubChem CID43548068
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1C
InChIInChI=1S/C13H13BrN2OS/c1-7-3-4-9(15)12(8(7)2)16-13(17)10-5-6-11(14)18-10/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRINUGUVAPJBEGK-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
CID 82818843
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471
5-bromo-N-(2-fluoro-6-methylphenyl)thiophene-2-carboxamide
CID 115909286
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65199593
N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
CID 43548116
N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide
CID 43549542
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
CID 43549040

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide (CID 43548068) is N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide is Cc1ccc(N)c(NC(=O)c2ccc(Br)s2)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide?
The InChIKey is RINUGUVAPJBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-7-3-4-9(15)12(8(7)2)16-13(17)10-5-6-11(14)18-10/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide?
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 43548068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).