[(Z)-1,2-diphenylethylideneamino] benzoate

C21H17NO2 — CID 6392325

IUPAC[(Z)-1,2-diphenylethylideneamino] benzoate
SMILESO=C(O/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-21(19-14-8-3-9-15-19)24-22-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20-
InChIKeyDZPXNVNSHUXZGC-XDOYNYLZSA-N
MW315.37 g/mol
LogP4.49
Rot. Bonds5

About [(Z)-1,2-diphenylethylideneamino] benzoate

[(Z)-1,2-diphenylethylideneamino] benzoate (PubChem CID 6392325) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(Z)-1,2-diphenylethylideneamino] benzoate.

Molecular Properties

Compound Name[(Z)-1,2-diphenylethylideneamino] benzoate
PubChem CID6392325
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name[(Z)-1,2-diphenylethylideneamino] benzoate
SMILESO=C(O/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-21(19-14-8-3-9-15-19)24-22-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20-
InChIKeyDZPXNVNSHUXZGC-XDOYNYLZSA-N
XLogP4.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(Z)-1,2-diphenylethylideneamino] benzoate?
The IUPAC name of [(Z)-1,2-diphenylethylideneamino] benzoate (CID 6392325) is [(Z)-1,2-diphenylethylideneamino] benzoate.
What is the SMILES notation for [(Z)-1,2-diphenylethylideneamino] benzoate?
The canonical SMILES for [(Z)-1,2-diphenylethylideneamino] benzoate is O=C(O/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1,2-diphenylethylideneamino] benzoate?
The InChIKey is DZPXNVNSHUXZGC-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H17NO2/c23-21(19-14-8-3-9-15-19)24-22-20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15H,16H2/b22-20-.
What are the key properties of [(Z)-1,2-diphenylethylideneamino] benzoate?
[(Z)-1,2-diphenylethylideneamino] benzoate has a molecular weight of 315.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-diphenylethylideneamino] benzoate is sourced from PubChem (CID 6392325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).