[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate

C18H16ClFN2O5 — CID 9060339

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H16ClFN2O5/c1-11(17(24)21-22-18(25)12-5-3-2-4-6-12)27-16(23)10-26-15-8-7-13(20)9-14(15)19/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeyYABZXXACSGWGQM-LLVKDONJSA-N
MW394.79 g/mol
LogP2.25
Rot. Bonds6

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate (PubChem CID 9060339) has the molecular formula C18H16ClFN2O5 and a molecular weight of 394.79 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
PubChem CID9060339
Molecular FormulaC18H16ClFN2O5
Molecular Weight394.79 g/mol
Exact Mass394.07
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H16ClFN2O5/c1-11(17(24)21-22-18(25)12-5-3-2-4-6-12)27-16(23)10-26-15-8-7-13(20)9-14(15)19/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeyYABZXXACSGWGQM-LLVKDONJSA-N
XLogP2.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8940523
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 8940482
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 8871605
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7764675
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 55417769
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791131
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8944983
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 8954475
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9428468

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate (CID 9060339) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
The InChIKey is YABZXXACSGWGQM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClFN2O5/c1-11(17(24)21-22-18(25)12-5-3-2-4-6-12)27-16(23)10-26-15-8-7-13(20)9-14(15)19/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate has a molecular weight of 394.79 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate is sourced from PubChem (CID 9060339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).