N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide

C21H18N2O — CID 5369555

IUPACN-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-16(22-23-21(24)20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H,23,24)/b22-16+
InChIKeyCIEAQMPAVHBIAN-CJLVFECKSA-N
MW314.39 g/mol
LogP4.51
Rot. Bonds4

About N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide

N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide (PubChem CID 5369555) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
PubChem CID5369555
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-16(22-23-21(24)20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H,23,24)/b22-16+
InChIKeyCIEAQMPAVHBIAN-CJLVFECKSA-N
XLogP4.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide (CID 5369555) is N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
The InChIKey is CIEAQMPAVHBIAN-CJLVFECKSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16(22-23-21(24)20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,1H3,(H,23,24)/b22-16+.
What are the key properties of N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide?
N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide has a molecular weight of 314.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5369555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).