[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate

C16H15BrN2O6 — CID 9063759

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c(Br)c1
InChIInChI=1S/C16H15BrN2O6/c1-10-4-5-12(11(17)7-10)24-9-15(21)25-8-14(20)18-19-16(22)13-3-2-6-23-13/h2-7H,8-9H2,1H3,(H,18,20)(H,19,22)
InChIKeyAABSGWCBTGZABT-UHFFFAOYSA-N
MW411.21 g/mol
LogP1.73
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate (PubChem CID 9063759) has the molecular formula C16H15BrN2O6 and a molecular weight of 411.21 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate
PubChem CID9063759
Molecular FormulaC16H15BrN2O6
Molecular Weight411.21 g/mol
Exact Mass410.01
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c(Br)c1
InChIInChI=1S/C16H15BrN2O6/c1-10-4-5-12(11(17)7-10)24-9-15(21)25-8-14(20)18-19-16(22)13-3-2-6-23-13/h2-7H,8-9H2,1H3,(H,18,20)(H,19,22)
InChIKeyAABSGWCBTGZABT-UHFFFAOYSA-N
XLogP1.73
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981951
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
CID 9063804
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527703
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8846429
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771212
2-phenylethyl 4-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 4947014
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 3931565

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate (CID 9063759) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccco2)c(Br)c1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate?
The InChIKey is AABSGWCBTGZABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O6/c1-10-4-5-12(11(17)7-10)24-9-15(21)25-8-14(20)18-19-16(22)13-3-2-6-23-13/h2-7H,8-9H2,1H3,(H,18,20)(H,19,22).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate has a molecular weight of 411.21 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate is sourced from PubChem (CID 9063759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).