3-formyl-N-methoxybenzamide

C9H9NO3 — CID 11571890

IUPAC3-formyl-N-methoxybenzamide
SMILESCONC(=O)c1cccc(C=O)c1
InChIInChI=1S/C9H9NO3/c1-13-10-9(12)8-4-2-3-7(5-8)6-11/h2-6H,1H3,(H,10,12)
InChIKeySCTDMRQBTAZKHM-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.79
Rot. Bonds3

About 3-formyl-N-methoxybenzamide

3-formyl-N-methoxybenzamide (PubChem CID 11571890) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-formyl-N-methoxybenzamide.

Molecular Properties

Compound Name3-formyl-N-methoxybenzamide
PubChem CID11571890
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-formyl-N-methoxybenzamide
SMILESCONC(=O)c1cccc(C=O)c1
InChIInChI=1S/C9H9NO3/c1-13-10-9(12)8-4-2-3-7(5-8)6-11/h2-6H,1H3,(H,10,12)
InChIKeySCTDMRQBTAZKHM-UHFFFAOYSA-N
XLogP0.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-methoxybenzamide?
The IUPAC name of 3-formyl-N-methoxybenzamide (CID 11571890) is 3-formyl-N-methoxybenzamide.
What is the SMILES notation for 3-formyl-N-methoxybenzamide?
The canonical SMILES for 3-formyl-N-methoxybenzamide is CONC(=O)c1cccc(C=O)c1.
What is the InChIKey of 3-formyl-N-methoxybenzamide?
The InChIKey is SCTDMRQBTAZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-10-9(12)8-4-2-3-7(5-8)6-11/h2-6H,1H3,(H,10,12).
What are the key properties of 3-formyl-N-methoxybenzamide?
3-formyl-N-methoxybenzamide has a molecular weight of 179.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-methoxybenzamide is sourced from PubChem (CID 11571890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).