2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide

C18H15F4N3O4 — CID 18228275

IUPAC2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O4/c19-14-7-2-1-6-13(14)17(28)23-9-15(26)24-25-16(27)10-29-12-5-3-4-11(8-12)18(20,21)22/h1-8H,9-10H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyFUDQPSUPAYBXRX-UHFFFAOYSA-N
MW413.33 g/mol
LogP1.80
Rot. Bonds6

About 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide (PubChem CID 18228275) has the molecular formula C18H15F4N3O4 and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
PubChem CID18228275
Molecular FormulaC18H15F4N3O4
Molecular Weight413.33 g/mol
Exact Mass413.10
IUPAC Name2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O4/c19-14-7-2-1-6-13(14)17(28)23-9-15(26)24-25-16(27)10-29-12-5-3-4-11(8-12)18(20,21)22/h1-8H,9-10H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyFUDQPSUPAYBXRX-UHFFFAOYSA-N
XLogP1.80
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 51.80
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

2-fluoro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634581
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 100758130
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757900
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide (CID 18228275) is 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)NNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide?
The InChIKey is FUDQPSUPAYBXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O4/c19-14-7-2-1-6-13(14)17(28)23-9-15(26)24-25-16(27)10-29-12-5-3-4-11(8-12)18(20,21)22/h1-8H,9-10H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide has a molecular weight of 413.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 18228275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).