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

C11H5Br2Cl2NOS — CID 113237204

IUPAC2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2Cl2NOS/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)
InChIKeyKSMQIXRHASOCMF-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.83
Rot. Bonds2

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

2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide (PubChem CID 113237204) has the molecular formula C11H5Br2Cl2NOS and a molecular weight of 429.95 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
PubChem CID113237204
Molecular FormulaC11H5Br2Cl2NOS
Molecular Weight429.95 g/mol
Exact Mass426.78
IUPAC Name2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br2Cl2NOS/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)
InChIKeyKSMQIXRHASOCMF-UHFFFAOYSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide (CID 113237204) is 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide?
The InChIKey is KSMQIXRHASOCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2NOS/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-(2,4-dichlorophenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 5.83, 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-(2,4-dichlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 113237204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).