4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide

C17H15BrClN3O3 — CID 54790870

IUPAC4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H15BrClN3O3/c18-12-5-3-4-11(10-12)17(25)22-21-16(24)9-8-15(23)20-14-7-2-1-6-13(14)19/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyUQBLFAUMHAOWHJ-UHFFFAOYSA-N
MW424.68 g/mol
LogP3.28
Rot. Bonds5

About 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide

4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide (PubChem CID 54790870) has the molecular formula C17H15BrClN3O3 and a molecular weight of 424.68 g/mol. Its IUPAC name is 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
PubChem CID54790870
Molecular FormulaC17H15BrClN3O3
Molecular Weight424.68 g/mol
Exact Mass423.00
IUPAC Name4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H15BrClN3O3/c18-12-5-3-4-11(10-12)17(25)22-21-16(24)9-8-15(23)20-14-7-2-1-6-13(14)19/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyUQBLFAUMHAOWHJ-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.28
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-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
4-[2-(3-bromo-4-butoxybenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 4955915
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(2-chloroanilino)-4-oxobutanoate
CID 17258492
4-[2-(3-bromobenzoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 54790886
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
4-[2-(3-bromo-4-tert-butylbenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3400795
N-(2-chlorophenyl)-4-[2-[4-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17112771
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3511916
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide (CID 54790870) is 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1cccc(Br)c1.
What is the InChIKey of 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
The InChIKey is UQBLFAUMHAOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O3/c18-12-5-3-4-11(10-12)17(25)22-21-16(24)9-8-15(23)20-14-7-2-1-6-13(14)19/h1-7,10H,8-9H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide?
4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide has a molecular weight of 424.68 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromobenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 54790870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).