[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate

C15H12Cl2N2O6 — CID 9125715

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O6/c1-23-13-9(16)5-8(6-10(13)17)15(22)25-7-12(20)18-19-14(21)11-3-2-4-24-11/h2-6H,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyVAKKMOWHKJXMAJ-UHFFFAOYSA-N
MW387.18 g/mol
LogP2.21
Rot. Bonds5

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate (PubChem CID 9125715) has the molecular formula C15H12Cl2N2O6 and a molecular weight of 387.18 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
PubChem CID9125715
Molecular FormulaC15H12Cl2N2O6
Molecular Weight387.18 g/mol
Exact Mass386.01
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O6/c1-23-13-9(16)5-8(6-10(13)17)15(22)25-7-12(20)18-19-14(21)11-3-2-4-24-11/h2-6H,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyVAKKMOWHKJXMAJ-UHFFFAOYSA-N
XLogP2.21
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 52.21
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] 5-chloro-2-methoxybenzoate
CID 7582114
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] pyridine-4-carboxylate
CID 7783774
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate
CID 7633673
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 26855910
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146656
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propoxybenzoate
CID 7211680
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
CID 7985162

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate (CID 9125715) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate is COc1c(Cl)cc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1Cl.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
The InChIKey is VAKKMOWHKJXMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O6/c1-23-13-9(16)5-8(6-10(13)17)15(22)25-7-12(20)18-19-14(21)11-3-2-4-24-11/h2-6H,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate has a molecular weight of 387.18 g/mol, XLogP of 2.21, 5 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] 3,5-dichloro-4-methoxybenzoate is sourced from PubChem (CID 9125715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).