4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide

C17H16ClN3O3 — CID 3516495

IUPAC4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESO=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c18-13-8-6-12(7-9-13)17(24)21-20-16(23)11-10-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyLPCWCSMAJRQJBH-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide

4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 3516495) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID3516495
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESO=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c18-13-8-6-12(7-9-13)17(24)21-20-16(23)11-10-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyLPCWCSMAJRQJBH-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.52
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

4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3140696
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3511916
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438
5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103866
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide (CID 3516495) is 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide is O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is LPCWCSMAJRQJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-13-8-6-12(7-9-13)17(24)21-20-16(23)11-10-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 345.79 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 3516495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).