2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide

C18H19FN2O5 — CID 2126545

IUPAC2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2cccc(F)c2)cc1OC
InChIInChI=1S/C18H19FN2O5/c1-24-15-7-6-12(8-16(15)25-2)9-17(22)20-21-18(23)11-26-14-5-3-4-13(19)10-14/h3-8,10H,9,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWKJUZNXSHAQWRH-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.61
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide

2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide (PubChem CID 2126545) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
PubChem CID2126545
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2cccc(F)c2)cc1OC
InChIInChI=1S/C18H19FN2O5/c1-24-15-7-6-12(8-16(15)25-2)9-17(22)20-21-18(23)11-26-14-5-3-4-13(19)10-14/h3-8,10H,9,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWKJUZNXSHAQWRH-UHFFFAOYSA-N
XLogP1.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
2-(3,4-Dimethoxyphenyl)acetohydrazide
CID 282482
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(2-fluoro-3,4-dimethoxyphenyl)methylideneamino]-2-methoxyacetamide
CID 59185862
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 59185911
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-2-methoxyacetamide
CID 59185924
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxyacetamide
CID 59185954
3-Phenyl-propionic acid N'-[2-(4-tert-butyl-phenoxy)-acetyl]-hydrazide
CID 3127650
2-(3-methylphenoxy)-N'-(6-{2-[(3-methylphenoxy)acetyl]hydrazino}-6-oxohexanoyl)acetohydrazide
CID 4367965
N'-[2-(2-fluorophenoxy)propanoyl]-3-phenylbutanehydrazide
CID 24979804
N'-[2-(3-fluorophenoxy)acetyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 25102432
N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 90643721
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide (CID 2126545) is 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide is COc1ccc(CC(=O)NNC(=O)COc2cccc(F)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The InChIKey is WKJUZNXSHAQWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-24-15-7-6-12(8-16(15)25-2)9-17(22)20-21-18(23)11-26-14-5-3-4-13(19)10-14/h3-8,10H,9,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide has a molecular weight of 362.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 2126545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).