[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C24H20FN3O6 — CID 16530168

IUPAC[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O6/c25-18-10-6-17(7-11-18)24(32)28-27-21(29)15-33-22(30)14-26-23(31)16-8-12-20(13-9-16)34-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,26,31)(H,27,29)(H,28,32)
InChIKeyGLIISLGGMLEFLJ-UHFFFAOYSA-N
MW465.44 g/mol
LogP2.35
Rot. Bonds8

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

[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 16530168) has the molecular formula C24H20FN3O6 and a molecular weight of 465.44 g/mol. Its IUPAC name is [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID16530168
Molecular FormulaC24H20FN3O6
Molecular Weight465.44 g/mol
Exact Mass465.13
IUPAC Name[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O6/c25-18-10-6-17(7-11-18)24(32)28-27-21(29)15-33-22(30)14-26-23(31)16-8-12-20(13-9-16)34-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,26,31)(H,27,29)(H,28,32)
InChIKeyGLIISLGGMLEFLJ-UHFFFAOYSA-N
XLogP2.35
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
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-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833340
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4842902
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 16530168) is [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is GLIISLGGMLEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O6/c25-18-10-6-17(7-11-18)24(32)28-27-21(29)15-33-22(30)14-26-23(31)16-8-12-20(13-9-16)34-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,26,31)(H,27,29)(H,28,32).
What are the key properties of [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 465.44 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 16530168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).