3-(4-formylphenyl)-4-methylbenzamide

C15H13NO2 — CID 58276727

IUPAC3-(4-formylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H13NO2/c1-10-2-5-13(15(16)18)8-14(10)12-6-3-11(9-17)4-7-12/h2-9H,1H3,(H2,16,18)
InChIKeySHUFQYPXRVASEC-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.57
Rot. Bonds3

About 3-(4-formylphenyl)-4-methylbenzamide

3-(4-formylphenyl)-4-methylbenzamide (PubChem CID 58276727) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(4-formylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(4-formylphenyl)-4-methylbenzamide
PubChem CID58276727
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(4-formylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H13NO2/c1-10-2-5-13(15(16)18)8-14(10)12-6-3-11(9-17)4-7-12/h2-9H,1H3,(H2,16,18)
InChIKeySHUFQYPXRVASEC-UHFFFAOYSA-N
XLogP2.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-formylphenyl)-4-methylbenzamide?
The IUPAC name of 3-(4-formylphenyl)-4-methylbenzamide (CID 58276727) is 3-(4-formylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(4-formylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(4-formylphenyl)-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1ccc(C=O)cc1.
What is the InChIKey of 3-(4-formylphenyl)-4-methylbenzamide?
The InChIKey is SHUFQYPXRVASEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-2-5-13(15(16)18)8-14(10)12-6-3-11(9-17)4-7-12/h2-9H,1H3,(H2,16,18).
What are the key properties of 3-(4-formylphenyl)-4-methylbenzamide?
3-(4-formylphenyl)-4-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylphenyl)-4-methylbenzamide is sourced from PubChem (CID 58276727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).