N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide

C15H19Cl2N3O3 — CID 4927502

IUPACN-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
SMILESCC(C)(C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O3/c1-15(2,3)14(23)20-19-13(22)7-6-12(21)18-11-5-4-9(16)8-10(11)17/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyZANJUODTNZISLS-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.91
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide

N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 4927502) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
PubChem CID4927502
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC NameN-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
SMILESCC(C)(C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O3/c1-15(2,3)14(23)20-19-13(22)7-6-12(21)18-11-5-4-9(16)8-10(11)17/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyZANJUODTNZISLS-UHFFFAOYSA-N
XLogP2.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
CID 4922776
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-chloro-N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide
CID 3540219
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
1,3-dichloropropan-2-yl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 4667244
N-(2,4-dichlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)propanoyl]hydrazinyl]butanamide
CID 4953857

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide (CID 4927502) is N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide is CC(C)(C)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is ZANJUODTNZISLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-15(2,3)14(23)20-19-13(22)7-6-12(21)18-11-5-4-9(16)8-10(11)17/h4-5,8H,6-7H2,1-3H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide?
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 360.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4927502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).