2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone

C22H17NO3 — CID 134840374

IUPAC2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone
SMILESO=C(/C(=N\C(O)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO3/c24-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)23-22(26)21(25)18-14-8-3-9-15-18/h1-15,22,26H/b23-19-
InChIKeyNIYMYYJDYRJYBJ-NMWGTECJSA-N
MW343.38 g/mol
LogP3.56
Rot. Bonds6

About 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone

2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone (PubChem CID 134840374) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone
PubChem CID134840374
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone
SMILESO=C(/C(=N\C(O)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO3/c24-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)23-22(26)21(25)18-14-8-3-9-15-18/h1-15,22,26H/b23-19-
InChIKeyNIYMYYJDYRJYBJ-NMWGTECJSA-N
XLogP3.56
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone?
The IUPAC name of 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone (CID 134840374) is 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone.
What is the SMILES notation for 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone?
The canonical SMILES for 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone is O=C(/C(=N\C(O)C(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone?
The InChIKey is NIYMYYJDYRJYBJ-NMWGTECJSA-N. The full InChI is InChI=1S/C22H17NO3/c24-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)23-22(26)21(25)18-14-8-3-9-15-18/h1-15,22,26H/b23-19-.
What are the key properties of 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone?
2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone has a molecular weight of 343.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]-1-phenylethanone is sourced from PubChem (CID 134840374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).