4-(4-formylphenoxy)benzamide

C14H11NO3 — CID 28825277

IUPAC4-(4-formylphenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
InChIKeyFWLHRSUMHBQBMO-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.39
Rot. Bonds4

About 4-(4-formylphenoxy)benzamide

4-(4-formylphenoxy)benzamide (PubChem CID 28825277) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(4-formylphenoxy)benzamide.

Molecular Properties

Compound Name4-(4-formylphenoxy)benzamide
PubChem CID28825277
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-(4-formylphenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
InChIKeyFWLHRSUMHBQBMO-UHFFFAOYSA-N
XLogP2.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
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-(4-formylphenoxy)benzamide?
The IUPAC name of 4-(4-formylphenoxy)benzamide (CID 28825277) is 4-(4-formylphenoxy)benzamide.
What is the SMILES notation for 4-(4-formylphenoxy)benzamide?
The canonical SMILES for 4-(4-formylphenoxy)benzamide is NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-formylphenoxy)benzamide?
The InChIKey is FWLHRSUMHBQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17).
What are the key properties of 4-(4-formylphenoxy)benzamide?
4-(4-formylphenoxy)benzamide has a molecular weight of 241.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylphenoxy)benzamide is sourced from PubChem (CID 28825277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).