4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide

C13H11BrClN3O3 — CID 104668257

IUPAC4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H11BrClN3O3/c1-7-3-11(18(20)21)9(15)5-10(7)16-13(19)12-4-8(14)6-17(12)2/h3-6H,1-2H3,(H,16,19)
InChIKeyDMIGEEVJPJCVRK-UHFFFAOYSA-N
MW372.61 g/mol
LogP3.91
Rot. Bonds3

About 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 104668257) has the molecular formula C13H11BrClN3O3 and a molecular weight of 372.61 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID104668257
Molecular FormulaC13H11BrClN3O3
Molecular Weight372.61 g/mol
Exact Mass370.97
IUPAC Name4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H11BrClN3O3/c1-7-3-11(18(20)21)9(15)5-10(7)16-13(19)12-4-8(14)6-17(12)2/h3-6H,1-2H3,(H,16,19)
InChIKeyDMIGEEVJPJCVRK-UHFFFAOYSA-N
XLogP3.91
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 53.91
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
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842
4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 60955681
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide (CID 104668257) is 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is DMIGEEVJPJCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O3/c1-7-3-11(18(20)21)9(15)5-10(7)16-13(19)12-4-8(14)6-17(12)2/h3-6H,1-2H3,(H,16,19).
What are the key properties of 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 372.61 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 104668257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).