N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide

C11H9F3N2O — CID 65098629

IUPACN-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3N2O/c1-16(4-2-3-15)11(17)10-8(13)5-7(12)6-9(10)14/h5-6H,2,4H2,1H3
InChIKeyJGNPMKKQBYVXGU-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.09
Rot. Bonds3

About N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide

N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide (PubChem CID 65098629) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
PubChem CID65098629
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3N2O/c1-16(4-2-3-15)11(17)10-8(13)5-7(12)6-9(10)14/h5-6H,2,4H2,1H3
InChIKeyJGNPMKKQBYVXGU-UHFFFAOYSA-N
XLogP2.09
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 71980637
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
CID 103892231
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-(2-cyanoethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680558
N-[(3-bromocyclobutyl)methyl]-2,4,6-trifluoro-N-methylbenzamide
CID 80672919
3-[(3,5-difluorophenyl)methyl-methylamino]propanenitrile
CID 115879627
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
4,5-dibromo-N-(2-cyanoethyl)-N-methylthiophene-2-carboxamide
CID 78909595
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098970

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide (CID 65098629) is N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide is CN(CCC#N)C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide?
The InChIKey is JGNPMKKQBYVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16(4-2-3-15)11(17)10-8(13)5-7(12)6-9(10)14/h5-6H,2,4H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide?
N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide has a molecular weight of 242.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide is sourced from PubChem (CID 65098629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).