4-cyano-N-methylbenzamide

C9H8N2O — CID 5080737

IUPAC4-cyano-N-methylbenzamide
SMILESCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H8N2O/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12)
InChIKeyUGGZWKXUBBYXLT-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.92
Rot. Bonds1

About 4-cyano-N-methylbenzamide

4-cyano-N-methylbenzamide (PubChem CID 5080737) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-cyano-N-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-methylbenzamide
PubChem CID5080737
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-cyano-N-methylbenzamide
SMILESCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H8N2O/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12)
InChIKeyUGGZWKXUBBYXLT-UHFFFAOYSA-N
XLogP0.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methylbenzamide?
The IUPAC name of 4-cyano-N-methylbenzamide (CID 5080737) is 4-cyano-N-methylbenzamide.
What is the SMILES notation for 4-cyano-N-methylbenzamide?
The canonical SMILES for 4-cyano-N-methylbenzamide is CNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methylbenzamide?
The InChIKey is UGGZWKXUBBYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12).
What are the key properties of 4-cyano-N-methylbenzamide?
4-cyano-N-methylbenzamide has a molecular weight of 160.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methylbenzamide is sourced from PubChem (CID 5080737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).