3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide

C19H19Br2N3O3 — CID 3635188

IUPAC3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(Br)c1)=NNC(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C19H19Br2N3O3/c1-12-6-7-17(16(21)8-12)27-11-19(26)24-23-13(2)9-18(25)22-15-5-3-4-14(20)10-15/h3-8,10H,9,11H2,1-2H3,(H,22,25)(H,24,26)
InChIKeySBDFZAWLZBCSGA-UHFFFAOYSA-N
MW497.19 g/mol
LogP4.42
Rot. Bonds7

About 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide

3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide (PubChem CID 3635188) has the molecular formula C19H19Br2N3O3 and a molecular weight of 497.19 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide
PubChem CID3635188
Molecular FormulaC19H19Br2N3O3
Molecular Weight497.19 g/mol
Exact Mass494.98
IUPAC Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(Br)c1)=NNC(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C19H19Br2N3O3/c1-12-6-7-17(16(21)8-12)27-11-19(26)24-23-13(2)9-18(25)22-15-5-3-4-14(20)10-15/h3-8,10H,9,11H2,1-2H3,(H,22,25)(H,24,26)
InChIKeySBDFZAWLZBCSGA-UHFFFAOYSA-N
XLogP4.42
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.19
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide 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

(3Z)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6294058
(3E)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6322490
3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 3105733
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(4-acetamidophenyl)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4147649
(3Z)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-[(2S)-butan-2-yl]butanamide
CID 7219126
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]-N-naphthalen-2-ylbutanamide
CID 5067981
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 46761825
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide?
The IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide (CID 3635188) is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide?
The canonical SMILES for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide is CC(CC(=O)Nc1cccc(Br)c1)=NNC(=O)COc1ccc(C)cc1Br.
What is the InChIKey of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide?
The InChIKey is SBDFZAWLZBCSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2N3O3/c1-12-6-7-17(16(21)8-12)27-11-19(26)24-23-13(2)9-18(25)22-15-5-3-4-14(20)10-15/h3-8,10H,9,11H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide?
3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide has a molecular weight of 497.19 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-bromophenyl)butanamide is sourced from PubChem (CID 3635188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).