N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide

C15H11Cl2FN2O3 — CID 24684710

IUPACN'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
SMILESO=C(COc1c(Cl)cccc1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O3/c16-11-2-1-3-12(17)14(11)23-8-13(21)19-20-15(22)9-4-6-10(18)7-5-9/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyLDHLLVBAOHVAGX-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.97
Rot. Bonds4

About N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide

N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide (PubChem CID 24684710) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
PubChem CID24684710
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC NameN'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
SMILESO=C(COc1c(Cl)cccc1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O3/c16-11-2-1-3-12(17)14(11)23-8-13(21)19-20-15(22)9-4-6-10(18)7-5-9/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyLDHLLVBAOHVAGX-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.97
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-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
CID 9037919

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide (CID 24684710) is N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide is O=C(COc1c(Cl)cccc1Cl)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide?
The InChIKey is LDHLLVBAOHVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c16-11-2-1-3-12(17)14(11)23-8-13(21)19-20-15(22)9-4-6-10(18)7-5-9/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide?
N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide has a molecular weight of 357.17 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 24684710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).