[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

C18H17ClN2O6 — CID 2539330

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C18H17ClN2O6/c1-11-3-5-13(27-11)6-8-17(23)26-10-16(22)20-21-18(24)14-9-12(19)4-7-15(14)25-2/h3-9H,10H2,1-2H3,(H,20,22)(H,21,24)/b8-6+
InChIKeyIUKJKIXFBMUPFN-SOFGYWHQSA-N
MW392.80 g/mol
LogP2.27
Rot. Bonds6

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 2539330) has the molecular formula C18H17ClN2O6 and a molecular weight of 392.80 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID2539330
Molecular FormulaC18H17ClN2O6
Molecular Weight392.80 g/mol
Exact Mass392.08
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C18H17ClN2O6/c1-11-3-5-13(27-11)6-8-17(23)26-10-16(22)20-21-18(24)14-9-12(19)4-7-15(14)25-2/h3-9H,10H2,1-2H3,(H,20,22)(H,21,24)/b8-6+
InChIKeyIUKJKIXFBMUPFN-SOFGYWHQSA-N
XLogP2.27
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3486784
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849579
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2494858
2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 26891412
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4598833
[2-(carbamoylamino)-2-oxoethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 3652907
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2526558
trans-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019931
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate (CID 2539330) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is IUKJKIXFBMUPFN-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H17ClN2O6/c1-11-3-5-13(27-11)6-8-17(23)26-10-16(22)20-21-18(24)14-9-12(19)4-7-15(14)25-2/h3-9H,10H2,1-2H3,(H,20,22)(H,21,24)/b8-6+.
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 392.80 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 2539330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).