4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide

C12H9Br2N3O3 — CID 60955681

IUPAC4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H9Br2N3O3/c1-16-6-7(13)4-11(16)12(18)15-10-3-2-8(17(19)20)5-9(10)14/h2-6H,1H3,(H,15,18)
InChIKeyOFIJEPOPKHYAQR-UHFFFAOYSA-N
MW403.03 g/mol
LogP3.71
Rot. Bonds3

About 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 60955681) has the molecular formula C12H9Br2N3O3 and a molecular weight of 403.03 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID60955681
Molecular FormulaC12H9Br2N3O3
Molecular Weight403.03 g/mol
Exact Mass400.90
IUPAC Name4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H9Br2N3O3/c1-16-6-7(13)4-11(16)12(18)15-10-3-2-8(17(19)20)5-9(10)14/h2-6H,1H3,(H,15,18)
InChIKeyOFIJEPOPKHYAQR-UHFFFAOYSA-N
XLogP3.71
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.03
LogP ≤ 53.71
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

4-bromo-1-methyl-N-(2-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 60698474
N-(4-bromo-2-ethylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 80999065
4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 104668257
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955303
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
N-(2-bromo-4-nitrophenyl)-3-methylbut-2-enamide
CID 19177492
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
N-(2-fluoro-4-methylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 18102003
4-bromo-1-methyl-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]pyrrole-2-carbohydrazide
CID 55451726

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide (CID 60955681) is 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is OFIJEPOPKHYAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O3/c1-16-6-7(13)4-11(16)12(18)15-10-3-2-8(17(19)20)5-9(10)14/h2-6H,1H3,(H,15,18).
What are the key properties of 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 403.03 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60955681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).