7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide

C23H26ClN5O4 — CID 4577337

IUPAC7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide
SMILESCc1ccc(NC(=O)CCCC(CC(=O)c2ccc(Cl)cc2)=NNC(=O)C(=O)NN)cc1C
InChIInChI=1S/C23H26ClN5O4/c1-14-6-11-18(12-15(14)2)26-21(31)5-3-4-19(28-29-23(33)22(32)27-25)13-20(30)16-7-9-17(24)10-8-16/h6-12H,3-5,13,25H2,1-2H3,(H,26,31)(H,27,32)(H,29,33)
InChIKeyZATAJNGAFIIRPH-UHFFFAOYSA-N
MW471.95 g/mol
LogP2.80
Rot. Bonds9

About 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide

7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide (PubChem CID 4577337) has the molecular formula C23H26ClN5O4 and a molecular weight of 471.95 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide
PubChem CID4577337
Molecular FormulaC23H26ClN5O4
Molecular Weight471.95 g/mol
Exact Mass471.17
IUPAC Name7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide
SMILESCc1ccc(NC(=O)CCCC(CC(=O)c2ccc(Cl)cc2)=NNC(=O)C(=O)NN)cc1C
InChIInChI=1S/C23H26ClN5O4/c1-14-6-11-18(12-15(14)2)26-21(31)5-3-4-19(28-29-23(33)22(32)27-25)13-20(30)16-7-9-17(24)10-8-16/h6-12H,3-5,13,25H2,1-2H3,(H,26,31)(H,27,32)(H,29,33)
InChIKeyZATAJNGAFIIRPH-UHFFFAOYSA-N
XLogP2.80
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750926
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
3-[[(5E)-7-(4-chlorophenyl)-5-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]-7-oxoheptanoyl]amino]-N-hydroxybenzeneamine oxide
CID 20835114
5-(4-chlorophenyl)-5-oxopentanehydrazide
CID 171817093
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide?
The IUPAC name of 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide (CID 4577337) is 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide.
What is the SMILES notation for 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide?
The canonical SMILES for 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide is Cc1ccc(NC(=O)CCCC(CC(=O)c2ccc(Cl)cc2)=NNC(=O)C(=O)NN)cc1C.
What is the InChIKey of 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide?
The InChIKey is ZATAJNGAFIIRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O4/c1-14-6-11-18(12-15(14)2)26-21(31)5-3-4-19(28-29-23(33)22(32)27-25)13-20(30)16-7-9-17(24)10-8-16/h6-12H,3-5,13,25H2,1-2H3,(H,26,31)(H,27,32)(H,29,33).
What are the key properties of 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide?
7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide has a molecular weight of 471.95 g/mol, XLogP of 2.80, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-5-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-7-oxoheptanamide is sourced from PubChem (CID 4577337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).