4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid

C21H15NO3 — CID 19383

IUPAC4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H15NO3/c23-20(14-22-19-12-10-18(11-13-19)21(24)25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,24,25)/b22-14+
InChIKeyPCESDWWIFVPSOX-HYARGMPZSA-N
MW329.36 g/mol
LogP4.64
Rot. Bonds5

About 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid

4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid (PubChem CID 19383) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid
PubChem CID19383
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H15NO3/c23-20(14-22-19-12-10-18(11-13-19)21(24)25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,24,25)/b22-14+
InChIKeyPCESDWWIFVPSOX-HYARGMPZSA-N
XLogP4.64
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid?
The IUPAC name of 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid (CID 19383) is 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid.
What is the SMILES notation for 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid?
The canonical SMILES for 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid is O=C(O)c1ccc(/N=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid?
The InChIKey is PCESDWWIFVPSOX-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20(14-22-19-12-10-18(11-13-19)21(24)25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,24,25)/b22-14+.
What are the key properties of 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid?
4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid has a molecular weight of 329.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(4-phenylphenyl)ethylidene]amino]benzoic acid is sourced from PubChem (CID 19383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).