[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C18H14FN3O5 — CID 9141001

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H14FN3O5/c19-15-4-2-1-3-14(15)18(25)22-21-16(23)10-27-17(24)11-26-13-7-5-12(9-20)6-8-13/h1-8H,10-11H2,(H,21,23)(H,22,25)
InChIKeyBOLXOMTYNLNCBF-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.08
Rot. Bonds6

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 9141001) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID9141001
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H14FN3O5/c19-15-4-2-1-3-14(15)18(25)22-21-16(23)10-27-17(24)11-26-13-7-5-12(9-20)6-8-13/h1-8H,10-11H2,(H,21,23)(H,22,25)
InChIKeyBOLXOMTYNLNCBF-UHFFFAOYSA-N
XLogP1.08
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.08
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-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141284
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842786
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 24557569
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 40576724
2-fluoro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634581
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 9141001) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is BOLXOMTYNLNCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c19-15-4-2-1-3-14(15)18(25)22-21-16(23)10-27-17(24)11-26-13-7-5-12(9-20)6-8-13/h1-8H,10-11H2,(H,21,23)(H,22,25).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 371.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9141001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).