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

C13H11Br2N3O3 — CID 60955437

IUPAC4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11Br2N3O3/c1-2-17-7-9(15)6-12(17)13(19)16-10-4-3-8(14)5-11(10)18(20)21/h3-7H,2H2,1H3,(H,16,19)
InChIKeyCHKQMHGUIJOWQY-UHFFFAOYSA-N
MW417.06 g/mol
LogP4.19
Rot. Bonds4

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

4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 60955437) has the molecular formula C13H11Br2N3O3 and a molecular weight of 417.06 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID60955437
Molecular FormulaC13H11Br2N3O3
Molecular Weight417.06 g/mol
Exact Mass414.92
IUPAC Name4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11Br2N3O3/c1-2-17-7-9(15)6-12(17)13(19)16-10-4-3-8(14)5-11(10)18(20)21/h3-7H,2H2,1H3,(H,16,19)
InChIKeyCHKQMHGUIJOWQY-UHFFFAOYSA-N
XLogP4.19
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 54.19
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'}

Analyze 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-ethyl-N-(4-hydroxy-2-nitrophenyl)pyrrole-2-carboxamide
CID 60954792
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955303
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63189791
4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
(4-bromo-2-nitrophenyl)urea
CID 54074030
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide (CID 60955437) is 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is CHKQMHGUIJOWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O3/c1-2-17-7-9(15)6-12(17)13(19)16-10-4-3-8(14)5-11(10)18(20)21/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 417.06 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 60955437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).