2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide

C11H13FN2O3S — CID 9471875

IUPAC2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
SMILESCSCC(=O)NNC(=O)COc1ccccc1F
InChIInChI=1S/C11H13FN2O3S/c1-18-7-11(16)14-13-10(15)6-17-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyAWXLBMOWIVZSQN-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.71
Rot. Bonds5

About 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide

2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide (PubChem CID 9471875) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
PubChem CID9471875
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
SMILESCSCC(=O)NNC(=O)COc1ccccc1F
InChIInChI=1S/C11H13FN2O3S/c1-18-7-11(16)14-13-10(15)6-17-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyAWXLBMOWIVZSQN-UHFFFAOYSA-N
XLogP0.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide
CID 8636119
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 9471896
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
CID 24641286
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
CID 7809022

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide (CID 9471875) is 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide is CSCC(=O)NNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide?
The InChIKey is AWXLBMOWIVZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-18-7-11(16)14-13-10(15)6-17-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide?
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide has a molecular weight of 272.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide is sourced from PubChem (CID 9471875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).