ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate

C16H15BrN2O6 — CID 4932656

IUPACethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H15BrN2O6/c1-2-23-16(22)10-3-5-11(6-4-10)24-9-14(20)18-19-15(21)12-7-8-13(17)25-12/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyPTMKZCSGKRMNGW-UHFFFAOYSA-N
MW411.21 g/mol
LogP2.06
Rot. Bonds6

About ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate

ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4932656) has the molecular formula C16H15BrN2O6 and a molecular weight of 411.21 g/mol. Its IUPAC name is ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4932656
Molecular FormulaC16H15BrN2O6
Molecular Weight411.21 g/mol
Exact Mass410.01
IUPAC Nameethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H15BrN2O6/c1-2-23-16(22)10-3-5-11(6-4-10)24-9-14(20)18-19-15(21)12-7-8-13(17)25-12/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyPTMKZCSGKRMNGW-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
ethyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932710
5-bromo-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide
CID 4503360
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
ethyl 4-[2-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932707
ethyl 4-[2-[2-[2-(2-methoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17355650
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
ethyl 4-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932671
5-bromo-N-[2-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538963

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate (CID 4932656) is ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is PTMKZCSGKRMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O6/c1-2-23-16(22)10-3-5-11(6-4-10)24-9-14(20)18-19-15(21)12-7-8-13(17)25-12/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate?
ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 411.21 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4932656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).