2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide

C13H11Br2N3O2 — CID 135560401

IUPAC2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc[nH]1
InChIInChI=1S/C13H11Br2N3O2/c14-9-3-4-12(11(15)6-9)20-8-13(19)18-17-7-10-2-1-5-16-10/h1-7,16H,8H2,(H,18,19)/b17-7+
InChIKeyDICZVTTVGYMIQJ-REZTVBANSA-N
MW401.06 g/mol
LogP3.07
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide (PubChem CID 135560401) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
PubChem CID135560401
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC Name2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc[nH]1
InChIInChI=1S/C13H11Br2N3O2/c14-9-3-4-12(11(15)6-9)20-8-13(19)18-17-7-10-2-1-5-16-10/h1-7,16H,8H2,(H,18,19)/b17-7+
InChIKeyDICZVTTVGYMIQJ-REZTVBANSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide 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

N-(1H-pyrrol-2-ylmethylideneamino)-2-(2,4,6-trichlorophenoxy)acetamide
CID 137139966
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 135999136
2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 922208
2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 5205408
2-(2-tert-butyl-5-methylphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 137095239
2-(2,6-dimethylphenoxy)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 136661504
2-(2,6-dimethylphenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135588975
2-(4-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 914097
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
2-(2,4-dibromophenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 5089749

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide (CID 135560401) is 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide is O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc[nH]1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
The InChIKey is DICZVTTVGYMIQJ-REZTVBANSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c14-9-3-4-12(11(15)6-9)20-8-13(19)18-17-7-10-2-1-5-16-10/h1-7,16H,8H2,(H,18,19)/b17-7+.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide has a molecular weight of 401.06 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 135560401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).