[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate

C17H15BrN2O5 — CID 7694609

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Br)c1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H15BrN2O5/c18-13-7-4-8-14(9-13)24-11-16(22)25-10-15(21)19-20-17(23)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,21)(H,20,23)
InChIKeyVACZNUAIOTWFGY-UHFFFAOYSA-N
MW407.22 g/mol
LogP1.83
Rot. Bonds6

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 7694609) has the molecular formula C17H15BrN2O5 and a molecular weight of 407.22 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID7694609
Molecular FormulaC17H15BrN2O5
Molecular Weight407.22 g/mol
Exact Mass406.02
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Br)c1)NNC(=O)c1ccccc1
InChIInChI=1S/C17H15BrN2O5/c18-13-7-4-8-14(9-13)24-11-16(22)25-10-15(21)19-20-17(23)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,21)(H,20,23)
InChIKeyVACZNUAIOTWFGY-UHFFFAOYSA-N
XLogP1.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
CID 17435498
(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8850997
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 7694609) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is O=C(COC(=O)COc1cccc(Br)c1)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is VACZNUAIOTWFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O5/c18-13-7-4-8-14(9-13)24-11-16(22)25-10-15(21)19-20-17(23)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,21)(H,20,23).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 407.22 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7694609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).