3-formyl-N,4-dimethylbenzamide

C10H11NO2 — CID 59265131

IUPAC3-formyl-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(C=O)c1
InChIInChI=1S/C10H11NO2/c1-7-3-4-8(10(13)11-2)5-9(7)6-12/h3-6H,1-2H3,(H,11,13)
InChIKeyMVMUULVIEJYDAT-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.17
Rot. Bonds2

About 3-formyl-N,4-dimethylbenzamide

3-formyl-N,4-dimethylbenzamide (PubChem CID 59265131) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-formyl-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-formyl-N,4-dimethylbenzamide
PubChem CID59265131
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-formyl-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(C=O)c1
InChIInChI=1S/C10H11NO2/c1-7-3-4-8(10(13)11-2)5-9(7)6-12/h3-6H,1-2H3,(H,11,13)
InChIKeyMVMUULVIEJYDAT-UHFFFAOYSA-N
XLogP1.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.17
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-formyl-N,4-dimethylbenzamide?
The IUPAC name of 3-formyl-N,4-dimethylbenzamide (CID 59265131) is 3-formyl-N,4-dimethylbenzamide.
What is the SMILES notation for 3-formyl-N,4-dimethylbenzamide?
The canonical SMILES for 3-formyl-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(C=O)c1.
What is the InChIKey of 3-formyl-N,4-dimethylbenzamide?
The InChIKey is MVMUULVIEJYDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-3-4-8(10(13)11-2)5-9(7)6-12/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-formyl-N,4-dimethylbenzamide?
3-formyl-N,4-dimethylbenzamide has a molecular weight of 177.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,4-dimethylbenzamide is sourced from PubChem (CID 59265131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).