2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide

C11H5Br2ClINOS — CID 107961994

IUPAC2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2ClINOS/c12-9-4-6(10(13)18-9)11(17)16-8-2-1-5(14)3-7(8)15/h1-4H,(H,16,17)
InChIKeyURRGATJYLMIVAC-UHFFFAOYSA-N
MW521.40 g/mol
LogP5.78
Rot. Bonds2

About 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide

2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide (PubChem CID 107961994) has the molecular formula C11H5Br2ClINOS and a molecular weight of 521.40 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
PubChem CID107961994
Molecular FormulaC11H5Br2ClINOS
Molecular Weight521.40 g/mol
Exact Mass518.72
IUPAC Name2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2ClINOS/c12-9-4-6(10(13)18-9)11(17)16-8-2-1-5(14)3-7(8)15/h1-4H,(H,16,17)
InChIKeyURRGATJYLMIVAC-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.40
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide (CID 107961994) is 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide?
The InChIKey is URRGATJYLMIVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClINOS/c12-9-4-6(10(13)18-9)11(17)16-8-2-1-5(14)3-7(8)15/h1-4H,(H,16,17).
What are the key properties of 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide has a molecular weight of 521.40 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 107961994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).