2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide

C13H16BrN3O3 — CID 3108510

IUPAC2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3O3/c1-13(2,3)15-11(19)12(20)17-16-10(18)8-5-4-6-9(14)7-8/h4-7H,1-3H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyBSVIDOQTVIBBAC-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.12
Rot. Bonds1

About 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide

2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide (PubChem CID 3108510) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
PubChem CID3108510
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3O3/c1-13(2,3)15-11(19)12(20)17-16-10(18)8-5-4-6-9(14)7-8/h4-7H,1-3H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyBSVIDOQTVIBBAC-UHFFFAOYSA-N
XLogP1.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108515
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108505
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
3-bromo-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 7767931
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095074
2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one
CID 95403688
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
The IUPAC name of 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide (CID 3108510) is 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
The canonical SMILES for 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
The InChIKey is BSVIDOQTVIBBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-13(2,3)15-11(19)12(20)17-16-10(18)8-5-4-6-9(14)7-8/h4-7H,1-3H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide has a molecular weight of 342.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide is sourced from PubChem (CID 3108510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).