4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide

C17H15Cl2N3O3 — CID 3140696

IUPAC4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESO=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O3/c18-11-6-7-13(14(19)10-11)17(25)22-21-16(24)9-8-15(23)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRAOCYEUEKUNJMA-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.17
Rot. Bonds5

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

4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 3140696) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID3140696
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESO=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O3/c18-11-6-7-13(14(19)10-11)17(25)22-21-16(24)9-8-15(23)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRAOCYEUEKUNJMA-UHFFFAOYSA-N
XLogP3.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.17
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-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 1283831
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
2,4-dichloro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
CID 3505238
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2-chloro-N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide
CID 3540219
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 35945777
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide (CID 3140696) is 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide is O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is RAOCYEUEKUNJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-11-6-7-13(14(19)10-11)17(25)22-21-16(24)9-8-15(23)20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 380.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 3140696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).