[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate

C17H15BrN2O5 — CID 7868379

IUPAC[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O5/c18-13-6-8-14(9-7-13)24-10-15(21)19-20-16(22)11-25-17(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)(H,20,22)
InChIKeyURAFSKUXFUUNSQ-UHFFFAOYSA-N
MW407.22 g/mol
LogP1.83
Rot. Bonds6

About [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate

[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate (PubChem CID 7868379) has the molecular formula C17H15BrN2O5 and a molecular weight of 407.22 g/mol. Its IUPAC name is [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
PubChem CID7868379
Molecular FormulaC17H15BrN2O5
Molecular Weight407.22 g/mol
Exact Mass406.02
IUPAC Name[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O5/c18-13-6-8-14(9-7-13)24-10-15(21)19-20-16(22)11-25-17(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)(H,20,22)
InChIKeyURAFSKUXFUUNSQ-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

ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-phenylacetamide
CID 4505092
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 3488463
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955421
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate?
The IUPAC name of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate (CID 7868379) is [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate?
The InChIKey is URAFSKUXFUUNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O5/c18-13-6-8-14(9-7-13)24-10-15(21)19-20-16(22)11-25-17(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)(H,20,22).
What are the key properties of [2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate?
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate 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-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate is sourced from PubChem (CID 7868379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).