N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide

C8H7Cl2N3O2 — CID 4862754

IUPACN-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H7Cl2N3O2/c9-4-1-5(10)3-6(2-4)12-7(14)8(15)13-11/h1-3H,11H2,(H,12,14)(H,13,15)
InChIKeyOOCLFQLQHSCMFH-UHFFFAOYSA-N
MW248.07 g/mol
LogP0.92
Rot. Bonds1

About N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide

N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 4862754) has the molecular formula C8H7Cl2N3O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID4862754
Molecular FormulaC8H7Cl2N3O2
Molecular Weight248.07 g/mol
Exact Mass246.99
IUPAC NameN-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H7Cl2N3O2/c9-4-1-5(10)3-6(2-4)12-7(14)8(15)13-11/h1-3H,11H2,(H,12,14)(H,13,15)
InChIKeyOOCLFQLQHSCMFH-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-(3,5-difluorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 43164108
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
N-(4-bromo-3-chlorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 107615247
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107577182
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide (CID 4862754) is N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide is NNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is OOCLFQLQHSCMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2/c9-4-1-5(10)3-6(2-4)12-7(14)8(15)13-11/h1-3H,11H2,(H,12,14)(H,13,15).
What are the key properties of N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide?
N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 248.07 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 4862754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).