4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide

C23H20FN3O4 — CID 26840576

IUPAC4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H20FN3O4/c24-18-12-10-17(11-13-18)23(30)25-14-21(28)26-27-22(29)15-31-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyQAYTYJVFKRJIPU-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.45
Rot. Bonds7

About 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide (PubChem CID 26840576) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
PubChem CID26840576
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H20FN3O4/c24-18-12-10-17(11-13-18)23(30)25-14-21(28)26-27-22(29)15-31-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyQAYTYJVFKRJIPU-UHFFFAOYSA-N
XLogP2.45
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]furan-3-carboxamide
CID 55648126
[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
CID 55333341
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 46632974
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 27568317

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide (CID 26840576) is 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide?
The InChIKey is QAYTYJVFKRJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c24-18-12-10-17(11-13-18)23(30)25-14-21(28)26-27-22(29)15-31-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide has a molecular weight of 421.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 26840576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).