4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide

C18H22BrN3O4 — CID 27037306

IUPAC4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C18H22BrN3O4/c1-3-25-15-7-4-5-8-16(15)26-10-6-9-17(23)20-21-18(24)14-11-13(19)12-22(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyURQCUKIJABPJOW-UHFFFAOYSA-N
MW424.30 g/mol
LogP2.81
Rot. Bonds8

About 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 27037306) has the molecular formula C18H22BrN3O4 and a molecular weight of 424.30 g/mol. Its IUPAC name is 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID27037306
Molecular FormulaC18H22BrN3O4
Molecular Weight424.30 g/mol
Exact Mass423.08
IUPAC Name4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C18H22BrN3O4/c1-3-25-15-7-4-5-8-16(15)26-10-6-9-17(23)20-21-18(24)14-11-13(19)12-22(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyURQCUKIJABPJOW-UHFFFAOYSA-N
XLogP2.81
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide 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-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036776
4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 27036889
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
CID 26311228
4-bromo-N'-[2-(difluoromethoxy)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 31293480
4-bromo-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
4-bromo-1-methyl-N'-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]pyrrole-2-carbohydrazide
CID 137282919
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24532949
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide (CID 27037306) is 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide is CCOc1ccccc1OCCCC(=O)NNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is URQCUKIJABPJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O4/c1-3-25-15-7-4-5-8-16(15)26-10-6-9-17(23)20-21-18(24)14-11-13(19)12-22(14)2/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 424.30 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 27037306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).