[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate

C15H19BrN2O4 — CID 7848136

IUPAC[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H19BrN2O4/c1-10(2)7-8-14(20)22-9-13(19)17-18-15(21)11-5-3-4-6-12(11)16/h3-6,10H,7-9H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyDOFBKVUIZVNTDM-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.19
Rot. Bonds6

About [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate (PubChem CID 7848136) has the molecular formula C15H19BrN2O4 and a molecular weight of 371.23 g/mol. Its IUPAC name is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
PubChem CID7848136
Molecular FormulaC15H19BrN2O4
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H19BrN2O4/c1-10(2)7-8-14(20)22-9-13(19)17-18-15(21)11-5-3-4-6-12(11)16/h3-6,10H,7-9H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyDOFBKVUIZVNTDM-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460728
(2R)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460730
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670728
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 7968657
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 98406447
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648433
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate?
The IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate (CID 7848136) is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate.
What is the SMILES notation for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate?
The canonical SMILES for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate is CC(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate?
The InChIKey is DOFBKVUIZVNTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4/c1-10(2)7-8-14(20)22-9-13(19)17-18-15(21)11-5-3-4-6-12(11)16/h3-6,10H,7-9H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate?
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate has a molecular weight of 371.23 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate is sourced from PubChem (CID 7848136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).