2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide

C17H16ClFN2O4 — CID 36858937

IUPAC2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H16ClFN2O4/c1-2-24-13-8-3-4-9-14(13)25-10-15(22)20-21-17(23)16-11(18)6-5-7-12(16)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyCFKIRIUFEWGGPE-UHFFFAOYSA-N
MW366.78 g/mol
LogP2.72
Rot. Bonds6

About 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide

2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide (PubChem CID 36858937) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
PubChem CID36858937
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC Name2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H16ClFN2O4/c1-2-24-13-8-3-4-9-14(13)25-10-15(22)20-21-17(23)16-11(18)6-5-7-12(16)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyCFKIRIUFEWGGPE-UHFFFAOYSA-N
XLogP2.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 52.72
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

2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 55572324
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide (CID 36858937) is 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide?
The InChIKey is CFKIRIUFEWGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-2-24-13-8-3-4-9-14(13)25-10-15(22)20-21-17(23)16-11(18)6-5-7-12(16)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide?
2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide has a molecular weight of 366.78 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide is sourced from PubChem (CID 36858937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).