2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide

C14H15FN2O3 — CID 2351411

IUPAC2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide
SMILESO=C1C=C(NNC(=O)COc2cccc(F)c2)CCC1
InChIInChI=1S/C14H15FN2O3/c15-10-3-1-6-13(7-10)20-9-14(19)17-16-11-4-2-5-12(18)8-11/h1,3,6-8,16H,2,4-5,9H2,(H,17,19)
InChIKeyRYESEORXLMKGMU-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide

2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide (PubChem CID 2351411) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide
PubChem CID2351411
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide
SMILESO=C1C=C(NNC(=O)COc2cccc(F)c2)CCC1
InChIInChI=1S/C14H15FN2O3/c15-10-3-1-6-13(7-10)20-9-14(19)17-16-11-4-2-5-12(18)8-11/h1,3,6-8,16H,2,4-5,9H2,(H,17,19)
InChIKeyRYESEORXLMKGMU-UHFFFAOYSA-N
XLogP1.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide?
The IUPAC name of 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide (CID 2351411) is 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide is O=C1C=C(NNC(=O)COc2cccc(F)c2)CCC1.
What is the InChIKey of 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide?
The InChIKey is RYESEORXLMKGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-10-3-1-6-13(7-10)20-9-14(19)17-16-11-4-2-5-12(18)8-11/h1,3,6-8,16H,2,4-5,9H2,(H,17,19).
What are the key properties of 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide?
2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide has a molecular weight of 278.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N'-(3-oxocyclohexen-1-yl)acetohydrazide is sourced from PubChem (CID 2351411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).