2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide

C17H17BrN2O4 — CID 9399882

IUPAC2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2Br)c(OC)c1
InChIInChI=1S/C17H17BrN2O4/c1-23-12-8-7-11(15(10-12)24-2)9-16(21)19-20-17(22)13-5-3-4-6-14(13)18/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUVADRSCGCJPBJV-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.47
Rot. Bonds5

About 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide

2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide (PubChem CID 9399882) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide
PubChem CID9399882
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2Br)c(OC)c1
InChIInChI=1S/C17H17BrN2O4/c1-23-12-8-7-11(15(10-12)24-2)9-16(21)19-20-17(22)13-5-3-4-6-14(13)18/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUVADRSCGCJPBJV-UHFFFAOYSA-N
XLogP2.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide 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'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
CID 2712122
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide
CID 9340041
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
CID 8870531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide (CID 9399882) is 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccccc2Br)c(OC)c1.
What is the InChIKey of 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide?
The InChIKey is UVADRSCGCJPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-23-12-8-7-11(15(10-12)24-2)9-16(21)19-20-17(22)13-5-3-4-6-14(13)18/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide?
2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 9399882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).