2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C21H16F2N2O3 — CID 78771932

IUPAC2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2O3/c22-16-10-6-11-17(23)20(16)21(27)25-24-19(26)13-28-18-12-5-4-9-15(18)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPPNJEFOXAOKLCC-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.47
Rot. Bonds5

About 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 78771932) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID78771932
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2O3/c22-16-10-6-11-17(23)20(16)21(27)25-24-19(26)13-28-18-12-5-4-9-15(18)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPPNJEFOXAOKLCC-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.47
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

2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 9085705
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
CID 36858937
4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 46632974

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 78771932) is 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is PPNJEFOXAOKLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c22-16-10-6-11-17(23)20(16)21(27)25-24-19(26)13-28-18-12-5-4-9-15(18)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 382.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 78771932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).