N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide

C12H11F3N2O — CID 65098822

IUPACN-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
SMILESCCC(C)(C#N)NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H11F3N2O/c1-3-12(2,6-16)17-11(18)10-8(14)4-7(13)5-9(10)15/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyRSFWAAOUFSIYQJ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.53
Rot. Bonds3

About N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide

N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide (PubChem CID 65098822) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
PubChem CID65098822
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
SMILESCCC(C)(C#N)NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H11F3N2O/c1-3-12(2,6-16)17-11(18)10-8(14)4-7(13)5-9(10)15/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyRSFWAAOUFSIYQJ-UHFFFAOYSA-N
XLogP2.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide 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

N-(2-cyanobutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113244762
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
N-(2-cyanobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 61120957
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
N-(2-cyanobutan-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107122430
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
N-(2-cyanobutan-2-yl)-5-fluoro-2-nitrobenzamide
CID 61119021
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide (CID 65098822) is N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide is CCC(C)(C#N)NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide?
The InChIKey is RSFWAAOUFSIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-3-12(2,6-16)17-11(18)10-8(14)4-7(13)5-9(10)15/h4-5H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide?
N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide has a molecular weight of 256.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65098822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).