4-formyl-N-methylbenzamide

C9H9NO2 — CID 10487212

IUPAC4-formyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C9H9NO2/c1-10-9(12)8-4-2-7(6-11)3-5-8/h2-6H,1H3,(H,10,12)
InChIKeyPUQLPZUXDZETND-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.86
Rot. Bonds2

About 4-formyl-N-methylbenzamide

4-formyl-N-methylbenzamide (PubChem CID 10487212) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-formyl-N-methylbenzamide.

Molecular Properties

Compound Name4-formyl-N-methylbenzamide
PubChem CID10487212
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-formyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C9H9NO2/c1-10-9(12)8-4-2-7(6-11)3-5-8/h2-6H,1H3,(H,10,12)
InChIKeyPUQLPZUXDZETND-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.86
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 4-formyl-N-methylbenzamide?
The IUPAC name of 4-formyl-N-methylbenzamide (CID 10487212) is 4-formyl-N-methylbenzamide.
What is the SMILES notation for 4-formyl-N-methylbenzamide?
The canonical SMILES for 4-formyl-N-methylbenzamide is CNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-methylbenzamide?
The InChIKey is PUQLPZUXDZETND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-10-9(12)8-4-2-7(6-11)3-5-8/h2-6H,1H3,(H,10,12).
What are the key properties of 4-formyl-N-methylbenzamide?
4-formyl-N-methylbenzamide has a molecular weight of 163.18 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methylbenzamide is sourced from PubChem (CID 10487212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).