[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate

C22H23FN2O4 — CID 8538501

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate
SMILESO=C(COC(=O)c1ccc(C2CCCCC2)cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C22H23FN2O4/c23-19-9-5-4-8-18(19)21(27)25-24-20(26)14-29-22(28)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,24,26)(H,25,27)
InChIKeyWETGRGJUOYPBBI-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.49
Rot. Bonds5

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate (PubChem CID 8538501) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate
PubChem CID8538501
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate
SMILESO=C(COC(=O)c1ccc(C2CCCCC2)cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C22H23FN2O4/c23-19-9-5-4-8-18(19)21(27)25-24-20(26)14-29-22(28)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,24,26)(H,25,27)
InChIKeyWETGRGJUOYPBBI-UHFFFAOYSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.49
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-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724098
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-fluorobenzoate
CID 2511431
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146659
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4779917
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2127756
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate
CID 7514436
[2-(2-fluorophenyl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744518
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate (CID 8538501) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate is O=C(COC(=O)c1ccc(C2CCCCC2)cc1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate?
The InChIKey is WETGRGJUOYPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-19-9-5-4-8-18(19)21(27)25-24-20(26)14-29-22(28)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,14H2,(H,24,26)(H,25,27).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate has a molecular weight of 398.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-cyclohexylbenzoate is sourced from PubChem (CID 8538501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).