(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

C25H24ClN3O2 — CID 171978918

IUPAC(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17-8-13-22(16-23(17)26)27-24(30)14-18(2)28-29-25(31)15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,27,30)(H,29,31)/b28-18+
InChIKeyFHQCKTKGIUZHTG-MTDXEUNCSA-N
MW433.94 g/mol
LogP5.38
Rot. Bonds7

About (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 171978918) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID171978918
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17-8-13-22(16-23(17)26)27-24(30)14-18(2)28-29-25(31)15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,27,30)(H,29,31)/b28-18+
InChIKeyFHQCKTKGIUZHTG-MTDXEUNCSA-N
XLogP5.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)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

(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 46501151
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-(9-ethylcarbazol-3-yl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 3107347
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 171979042
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
N'-[(Z)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 6020360
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 4306976
N-(3,4-dichlorophenyl)-3-(propanoylhydrazinylidene)butanamide
CID 546204
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide;hydroxylamine
CID 143175975
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
CID 143175976

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (CID 171978918) is (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is FHQCKTKGIUZHTG-MTDXEUNCSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17-8-13-22(16-23(17)26)27-24(30)14-18(2)28-29-25(31)15-19-9-11-21(12-10-19)20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3,(H,27,30)(H,29,31)/b28-18+.
What are the key properties of (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 433.94 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 171978918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).