(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate

C21H18N2O3 — CID 174432426

IUPAC(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
SMILESNNc1ccccc1C(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c22-23-18-14-8-7-13-17(18)21(25)26-20(16-11-5-2-6-12-16)19(24)15-9-3-1-4-10-15/h1-14,20,23H,22H2
InChIKeyWLDSLYSIYFJGKS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.75
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate

(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate (PubChem CID 174432426) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
PubChem CID174432426
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
SMILESNNc1ccccc1C(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c22-23-18-14-8-7-13-17(18)21(25)26-20(16-11-5-2-6-12-16)19(24)15-9-3-1-4-10-15/h1-14,20,23H,22H2
InChIKeyWLDSLYSIYFJGKS-UHFFFAOYSA-N
XLogP3.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-acetamidobenzoate
CID 6552599
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
CID 126184796
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25039219
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
(2-amino-2-oxo-1-phenylethyl) 2-(4-fluoroanilino)benzoate
CID 18134973
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
(2-oxo-1,2-diphenylethyl) 2,5-dibromobenzoate
CID 4126721
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
(2-oxo-1,2-diphenylethyl) 3,4-dihydroxybenzoate
CID 23738197

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate (CID 174432426) is (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate is NNc1ccccc1C(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate?
The InChIKey is WLDSLYSIYFJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c22-23-18-14-8-7-13-17(18)21(25)26-20(16-11-5-2-6-12-16)19(24)15-9-3-1-4-10-15/h1-14,20,23H,22H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate?
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate has a molecular weight of 346.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate is sourced from PubChem (CID 174432426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).