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

C27H21FN2O3 — CID 1040178

IUPAC2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
SMILESO=C(c1ccccc1F)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21FN2O3/c28-24-19-11-10-18-23(24)25(31)30(22-16-8-3-9-17-22)29-26(32)27(33,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,33H,(H,29,32)
InChIKeyDWHOQTKOVYCBCA-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.44
Rot. Bonds5

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

2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide (PubChem CID 1040178) has the molecular formula C27H21FN2O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
PubChem CID1040178
Molecular FormulaC27H21FN2O3
Molecular Weight440.47 g/mol
Exact Mass440.15
IUPAC Name2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide
SMILESO=C(c1ccccc1F)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21FN2O3/c28-24-19-11-10-18-23(24)25(31)30(22-16-8-3-9-17-22)29-26(32)27(33,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,33H,(H,29,32)
InChIKeyDWHOQTKOVYCBCA-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide (CID 1040178) is 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide is O=C(c1ccccc1F)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
The InChIKey is DWHOQTKOVYCBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O3/c28-24-19-11-10-18-23(24)25(31)30(22-16-8-3-9-17-22)29-26(32)27(33,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,33H,(H,29,32).
What are the key properties of 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide?
2-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 2-fluoro-N'-(2-hydroxy-2,2-diphenylacetyl)-N-phenylbenzohydrazide is sourced from PubChem (CID 1040178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).