N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide

C18H17Cl2N3O3 — CID 3265551

IUPACN-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-6-7-14(15(20)10-13)18(26)23-22-17(25)9-8-16(24)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNHESTUUNEUVCGK-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3265551) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID3265551
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-6-7-14(15(20)10-13)18(26)23-22-17(25)9-8-16(24)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyNHESTUUNEUVCGK-UHFFFAOYSA-N
XLogP2.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide (CID 3265551) is N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is NHESTUUNEUVCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-13-6-7-14(15(20)10-13)18(26)23-22-17(25)9-8-16(24)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 394.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3265551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).