4-(N-(4-formylphenyl)anilino)benzaldehyde

C20H15NO2 — CID 819489

IUPAC4-(N-(4-formylphenyl)anilino)benzaldehyde
SMILESO=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H15NO2/c22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20/h1-15H
InChIKeyDOUAFMIJGIUWJX-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.78
Rot. Bonds5

About 4-(N-(4-formylphenyl)anilino)benzaldehyde

4-(N-(4-formylphenyl)anilino)benzaldehyde (PubChem CID 819489) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(N-(4-formylphenyl)anilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-(4-formylphenyl)anilino)benzaldehyde
PubChem CID819489
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name4-(N-(4-formylphenyl)anilino)benzaldehyde
SMILESO=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H15NO2/c22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20/h1-15H
InChIKeyDOUAFMIJGIUWJX-UHFFFAOYSA-N
XLogP4.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(N-(4-formylphenyl)anilino)benzaldehyde?
The IUPAC name of 4-(N-(4-formylphenyl)anilino)benzaldehyde (CID 819489) is 4-(N-(4-formylphenyl)anilino)benzaldehyde.
What is the SMILES notation for 4-(N-(4-formylphenyl)anilino)benzaldehyde?
The canonical SMILES for 4-(N-(4-formylphenyl)anilino)benzaldehyde is O=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(N-(4-formylphenyl)anilino)benzaldehyde?
The InChIKey is DOUAFMIJGIUWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20/h1-15H.
What are the key properties of 4-(N-(4-formylphenyl)anilino)benzaldehyde?
4-(N-(4-formylphenyl)anilino)benzaldehyde has a molecular weight of 301.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(4-formylphenyl)anilino)benzaldehyde is sourced from PubChem (CID 819489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).