N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide

C23H21FN2O3 — CID 27225851

IUPACN'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
SMILESO=C(COc1ccccc1Cc1ccccc1)NNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C23H21FN2O3/c24-20-11-6-9-18(14-20)15-22(27)25-26-23(28)16-29-21-12-5-4-10-19(21)13-17-7-2-1-3-8-17/h1-12,14H,13,15-16H2,(H,25,27)(H,26,28)
InChIKeyXGKLKWSZPVNUOD-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.19
Rot. Bonds7

About N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide

N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide (PubChem CID 27225851) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
PubChem CID27225851
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
SMILESO=C(COc1ccccc1Cc1ccccc1)NNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C23H21FN2O3/c24-20-11-6-9-18(14-20)15-22(27)25-26-23(28)16-29-21-12-5-4-10-19(21)13-17-7-2-1-3-8-17/h1-12,14H,13,15-16H2,(H,25,27)(H,26,28)
InChIKeyXGKLKWSZPVNUOD-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.19
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-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 7856125
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27568831
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
The IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide (CID 27225851) is N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
The canonical SMILES for N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide is O=C(COc1ccccc1Cc1ccccc1)NNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
The InChIKey is XGKLKWSZPVNUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-20-11-6-9-18(14-20)15-22(27)25-26-23(28)16-29-21-12-5-4-10-19(21)13-17-7-2-1-3-8-17/h1-12,14H,13,15-16H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide?
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide has a molecular weight of 392.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide is sourced from PubChem (CID 27225851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).