4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide

C15H16BrN3O3 — CID 24532949

IUPAC4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C15H16BrN3O3/c1-19-9-11(16)8-13(19)15(21)18-17-14(20)7-10-3-5-12(22-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGPXBQXAPNYARPT-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.80
Rot. Bonds4

About 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 24532949) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID24532949
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C15H16BrN3O3/c1-19-9-11(16)8-13(19)15(21)18-17-14(20)7-10-3-5-12(22-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGPXBQXAPNYARPT-UHFFFAOYSA-N
XLogP1.80
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-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-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
4-bromo-1-methyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrrole-2-carbohydrazide
CID 24533026
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
4-bromo-N'-[2-(4-methoxyphenoxy)-5-nitrobenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 46429266
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037306
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
4-bromo-1-methyl-N'-[2-(3-methylbutylsulfanyl)acetyl]pyrrole-2-carbohydrazide
CID 47384629
4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 24533009
4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036776

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 24532949) is 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cc(Br)cn2C)cc1.
What is the InChIKey of 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is GPXBQXAPNYARPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-19-9-11(16)8-13(19)15(21)18-17-14(20)7-10-3-5-12(22-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 366.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 24532949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).