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

C25H24ClN3O2 — CID 46501151

IUPAC(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17(15-24(30)27-23-10-6-9-22(26)18(23)2)28-29-25(31)16-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-14H,15-16H2,1-2H3,(H,27,30)(H,29,31)/b28-17+
InChIKeySBLKGGKFMABIKM-OGLMXYFKSA-N
MW433.94 g/mol
LogP5.38
Rot. Bonds7

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

(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 46501151) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID46501151
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-17(15-24(30)27-23-10-6-9-22(26)18(23)2)28-29-25(31)16-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-14H,15-16H2,1-2H3,(H,27,30)(H,29,31)/b28-17+
InChIKeySBLKGGKFMABIKM-OGLMXYFKSA-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'}

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Related Compounds

(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide
CID 7224772
(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978918
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051
N-[[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-2-iodobenzamide
CID 3403984
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 4306976
N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
CID 4665636
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]oxamide
CID 98155827
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (CID 46501151) is (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is SBLKGGKFMABIKM-OGLMXYFKSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17(15-24(30)27-23-10-6-9-22(26)18(23)2)28-29-25(31)16-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-14H,15-16H2,1-2H3,(H,27,30)(H,29,31)/b28-17+.
What are the key properties of (3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
(3E)-N-(3-chloro-2-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-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 46501151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).