N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C21H17ClN2O2 — CID 6862821

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-19-13-11-16(12-14-19)15-23-24-20(25)21(26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,26H,(H,24,25)/b23-15+
InChIKeyONWGJPDBNJONCO-HZHRSRAPSA-N
MW364.83 g/mol
LogP3.73
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 6862821) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID6862821
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-19-13-11-16(12-14-19)15-23-24-20(25)21(26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,26H,(H,24,25)/b23-15+
InChIKeyONWGJPDBNJONCO-HZHRSRAPSA-N
XLogP3.73
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.73
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)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 6862821) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C/c1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is ONWGJPDBNJONCO-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-19-13-11-16(12-14-19)15-23-24-20(25)21(26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,26H,(H,24,25)/b23-15+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 364.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 6862821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).