[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate

C20H16N2O6 — CID 7985162

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccco1
InChIInChI=1S/C20H16N2O6/c23-18(21-22-19(24)17-10-5-11-26-17)13-27-20(25)14-6-4-9-16(12-14)28-15-7-2-1-3-8-15/h1-12H,13H2,(H,21,23)(H,22,24)
InChIKeyJJLCCQQKJFICIU-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.69
Rot. Bonds6

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate (PubChem CID 7985162) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
PubChem CID7985162
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
SMILESO=C(COC(=O)c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccco1
InChIInChI=1S/C20H16N2O6/c23-18(21-22-19(24)17-10-5-11-26-17)13-27-20(25)14-6-4-9-16(12-14)28-15-7-2-1-3-8-15/h1-12H,13H2,(H,21,23)(H,22,24)
InChIKeyJJLCCQQKJFICIU-UHFFFAOYSA-N
XLogP2.69
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.69
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] 3-fluorobenzoate
CID 8612232
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-phenoxybenzoate
CID 9081631
[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate
CID 2361312
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
CID 7211680
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
CID 7700481
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125715
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate (CID 7985162) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate is O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccco1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate?
The InChIKey is JJLCCQQKJFICIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-18(21-22-19(24)17-10-5-11-26-17)13-27-20(25)14-6-4-9-16(12-14)28-15-7-2-1-3-8-15/h1-12H,13H2,(H,21,23)(H,22,24).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate has a molecular weight of 380.36 g/mol, XLogP of 2.69, 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] 3-phenoxybenzoate is sourced from PubChem (CID 7985162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).