N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide

C13H9Br2NO2S — CID 113237224

IUPACN-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H9Br2NO2S/c1-7(17)8-4-2-3-5-10(8)16-13(18)9-6-11(14)19-12(9)15/h2-6H,1H3,(H,16,18)
InChIKeyNOBCFWBOEGNXKJ-UHFFFAOYSA-N
MW403.10 g/mol
LogP4.73
Rot. Bonds3

About N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide

N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide (PubChem CID 113237224) has the molecular formula C13H9Br2NO2S and a molecular weight of 403.10 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
PubChem CID113237224
Molecular FormulaC13H9Br2NO2S
Molecular Weight403.10 g/mol
Exact Mass400.87
IUPAC NameN-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H9Br2NO2S/c1-7(17)8-4-2-3-5-10(8)16-13(18)9-6-11(14)19-12(9)15/h2-6H,1H3,(H,16,18)
InChIKeyNOBCFWBOEGNXKJ-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.10
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805
2,5-dibromo-N-[2-(trifluoromethylsulfanyl)phenyl]thiophene-3-carboxamide
CID 107962087
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
2,5-dibromo-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)thiophene-3-carboxamide
CID 114021290
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide (CID 113237224) is N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide is CC(=O)c1ccccc1NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide?
The InChIKey is NOBCFWBOEGNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO2S/c1-7(17)8-4-2-3-5-10(8)16-13(18)9-6-11(14)19-12(9)15/h2-6H,1H3,(H,16,18).
What are the key properties of N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide?
N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide has a molecular weight of 403.10 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 113237224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).