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

C11H5Br2ClN2O3S — CID 78924091

IUPAC4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H5Br2ClN2O3S/c12-6-4-9(20-10(6)13)11(17)15-5-1-2-8(16(18)19)7(14)3-5/h1-4H,(H,15,17)
InChIKeyLMEUEPOKZXGUER-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.09
Rot. Bonds3

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

4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide (PubChem CID 78924091) has the molecular formula C11H5Br2ClN2O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
PubChem CID78924091
Molecular FormulaC11H5Br2ClN2O3S
Molecular Weight440.50 g/mol
Exact Mass437.81
IUPAC Name4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H5Br2ClN2O3S/c12-6-4-9(20-10(6)13)11(17)15-5-1-2-8(16(18)19)7(14)3-5/h1-4H,(H,15,17)
InChIKeyLMEUEPOKZXGUER-UHFFFAOYSA-N
XLogP5.09
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
CID 19205272
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 78948733
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19205153

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide (CID 78924091) is 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is LMEUEPOKZXGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClN2O3S/c12-6-4-9(20-10(6)13)11(17)15-5-1-2-8(16(18)19)7(14)3-5/h1-4H,(H,15,17).
What are the key properties of 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3-chloro-4-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 78924091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).