N-cyano-2,4,6-trimethylbenzamide

C11H12N2O — CID 79194591

IUPACN-cyano-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC#N)c(C)c1
InChIInChI=1S/C11H12N2O/c1-7-4-8(2)10(9(3)5-7)11(14)13-6-12/h4-5H,1-3H3,(H,13,14)
InChIKeyXCPCRFBNVKSITI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.82
Rot. Bonds1

About N-cyano-2,4,6-trimethylbenzamide

N-cyano-2,4,6-trimethylbenzamide (PubChem CID 79194591) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-cyano-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-cyano-2,4,6-trimethylbenzamide
PubChem CID79194591
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-cyano-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC#N)c(C)c1
InChIInChI=1S/C11H12N2O/c1-7-4-8(2)10(9(3)5-7)11(14)13-6-12/h4-5H,1-3H3,(H,13,14)
InChIKeyXCPCRFBNVKSITI-UHFFFAOYSA-N
XLogP1.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-Methylbenzamide
CID 10704
p-(tert-Butyl)benzamide
CID 92014
Benzamide, N-cyano-
CID 84805
3,4-Dimethylbenzamide
CID 21755
2,3-Dimethylbenzamide
CID 2800987
7-Methylisoquinolin-1(2H)-one
CID 15693876
Benzamide, 4-(1-methylethyl)-
CID 69277
N-methyl-2-toluamide
CID 75111
Benzamide, 4-butyl-N-methyl-
CID 20253177
2-Naphthamide, 5,6,7,8-tetrahydro-
CID 25958
N-cyano-2-methylbenzamide
CID 710552
2,4,6-Trimethylbenzamide
CID 246686

Frequently Asked Questions

What is the IUPAC name of N-cyano-2,4,6-trimethylbenzamide?
The IUPAC name of N-cyano-2,4,6-trimethylbenzamide (CID 79194591) is N-cyano-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-cyano-2,4,6-trimethylbenzamide?
The canonical SMILES for N-cyano-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC#N)c(C)c1.
What is the InChIKey of N-cyano-2,4,6-trimethylbenzamide?
The InChIKey is XCPCRFBNVKSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-8(2)10(9(3)5-7)11(14)13-6-12/h4-5H,1-3H3,(H,13,14).
What are the key properties of N-cyano-2,4,6-trimethylbenzamide?
N-cyano-2,4,6-trimethylbenzamide has a molecular weight of 188.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2,4,6-trimethylbenzamide is sourced from PubChem (CID 79194591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).