4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide

C27H21FN2O3 — CID 5022184

IUPAC4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
SMILESO=C(c1ccc(F)cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21FN2O3/c28-23-18-16-20(17-19-23)25(31)30(24-14-8-3-9-15-24)29-26(32)27(33,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19,33H,(H,29,32)
InChIKeyRMKRZUILDZNEKF-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.44
Rot. Bonds5

About 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide

4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide (PubChem CID 5022184) has the molecular formula C27H21FN2O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
PubChem CID5022184
Molecular FormulaC27H21FN2O3
Molecular Weight440.47 g/mol
Exact Mass440.15
IUPAC Name4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
SMILESO=C(c1ccc(F)cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21FN2O3/c28-23-18-16-20(17-19-23)25(31)30(24-14-8-3-9-15-24)29-26(32)27(33,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19,33H,(H,29,32)
InChIKeyRMKRZUILDZNEKF-UHFFFAOYSA-N
XLogP4.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.44
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

2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
CID 1040178
N'-[hydroxy(diphenyl)acetyl]-N-(1-phenylethyl)benzohydrazide
CID 3954027
Benzoic acid N'-(2-hydroxy-2,2-di-p-tolyl-acetyl)-N-phenyl-hydrazide
CID 1100572
Ethyl 2-[hydroxy(diphenyl)acetyl]-1-phenylhydrazinecarboxylate
CID 1634708
N'-(chloroacetyl)-2-hydroxy-N'-(4-methylphenyl)-2,2-diphenylacetohydrazide
CID 1920377
Methyl 2-[hydroxy(diphenyl)acetyl]-1-phenylhydrazinecarboxylate
CID 1585699
Methyl 2-[hydroxy(diphenyl)acetyl]-1-(4-methylphenyl)hydrazinecarboxylate
CID 1588937
N-(3-fluorophenyl)-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 1922551
2-hydroxy-N'-(2,3,4,5,6-pentafluorophenyl)-2,2-diphenylacetohydrazide
CID 1889955
(2S)-2-(4-fluorophenyl)-2-hydroxy-N,3-diphenylpropanamide
CID 11522859
(2S)-3-(4-fluorophenyl)-2-hydroxy-N,2-diphenylpropanamide
CID 102252912
Benzil-Anilide
CID 12411894

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide (CID 5022184) is 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide is O=C(c1ccc(F)cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
The InChIKey is RMKRZUILDZNEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O3/c28-23-18-16-20(17-19-23)25(31)30(24-14-8-3-9-15-24)29-26(32)27(33,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19,33H,(H,29,32).
What are the key properties of 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide has a molecular weight of 440.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide is sourced from PubChem (CID 5022184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).