N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide

C16H12F4N2O3 — CID 7601146

IUPACN'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F4N2O3/c17-12-3-1-2-4-13(12)25-9-14(23)21-22-15(24)10-5-7-11(8-6-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyFLFLNOBUIBJGOZ-UHFFFAOYSA-N
MW356.28 g/mol
LogP2.68
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide (PubChem CID 7601146) has the molecular formula C16H12F4N2O3 and a molecular weight of 356.28 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
PubChem CID7601146
Molecular FormulaC16H12F4N2O3
Molecular Weight356.28 g/mol
Exact Mass356.08
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F4N2O3/c17-12-3-1-2-4-13(12)25-9-14(23)21-22-15(24)10-5-7-11(8-6-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyFLFLNOBUIBJGOZ-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
N'-[2-(2-fluorophenoxy)acetyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbohydrazide
CID 17441900
N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 26847933
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
CID 7809035
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842173

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide (CID 7601146) is N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
The InChIKey is FLFLNOBUIBJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O3/c17-12-3-1-2-4-13(12)25-9-14(23)21-22-15(24)10-5-7-11(8-6-10)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide has a molecular weight of 356.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 7601146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).