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

C19H20BrN3O4 — CID 3543666

IUPACN-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(OCC(=O)NN=C(C)CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrN3O4/c1-13(11-18(24)21-15-5-3-14(20)4-6-15)22-23-19(25)12-27-17-9-7-16(26-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyWKYGDZKKYHKDQS-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.36
Rot. Bonds8

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

N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 3543666) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID3543666
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(OCC(=O)NN=C(C)CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrN3O4/c1-13(11-18(24)21-15-5-3-14(20)4-6-15)22-23-19(25)12-27-17-9-7-16(26-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyWKYGDZKKYHKDQS-UHFFFAOYSA-N
XLogP3.36
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]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

3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
(3E)-N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 17384616
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 5342164
(3Z)-3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 6175992
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
N-(4-acetamidophenyl)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4147649
N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3636955
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 4187201

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide (CID 3543666) is N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide is COc1ccc(OCC(=O)NN=C(C)CC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is WKYGDZKKYHKDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-13(11-18(24)21-15-5-3-14(20)4-6-15)22-23-19(25)12-27-17-9-7-16(26-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 434.29 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3543666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).