[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C19H17FN2O4 — CID 8587286

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H17FN2O4/c20-15-9-5-4-8-14(15)17(24)22-21-16(23)12-26-18(25)19(10-11-19)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,23)(H,22,24)
InChIKeyYUQYPUBCWOFMGJ-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.86
Rot. Bonds5

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8587286) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8587286
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H17FN2O4/c20-15-9-5-4-8-14(15)17(24)22-21-16(23)12-26-18(25)19(10-11-19)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,23)(H,22,24)
InChIKeyYUQYPUBCWOFMGJ-UHFFFAOYSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.86
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-Benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2429985
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
CID 2416248
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate
CID 2640551
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] adamantane-1-carboxylate
CID 5217940
[2-[2-(4-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796275
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8492845
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413640
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 16272896
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 16280479
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838830
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2406674
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-fluorobenzoate
CID 2409376

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8587286) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is YUQYPUBCWOFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-15-9-5-4-8-14(15)17(24)22-21-16(23)12-26-18(25)19(10-11-19)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,23)(H,22,24).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 356.35 g/mol, XLogP of 1.86, 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] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8587286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).