N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide

C22H19FN2O2 — CID 5335701

IUPACN-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2/c1-16(17-12-14-20(23)15-13-17)24-25-21(26)22(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,27H,1H3,(H,25,26)/b24-16+
InChIKeyODJLBVYWXFDSGS-LFVJCYFKSA-N
MW362.40 g/mol
LogP3.60
Rot. Bonds5

About N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 5335701) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID5335701
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2/c1-16(17-12-14-20(23)15-13-17)24-25-21(26)22(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,27H,1H3,(H,25,26)/b24-16+
InChIKeyODJLBVYWXFDSGS-LFVJCYFKSA-N
XLogP3.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 5335701) is N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide is C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is ODJLBVYWXFDSGS-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-16(17-12-14-20(23)15-13-17)24-25-21(26)22(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,27H,1H3,(H,25,26)/b24-16+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 362.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 5335701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).