N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide

C14H17FN2O — CID 82118903

IUPACN-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C(C#N)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-14(2,3)13(18)17(4)12(9-16)10-7-5-6-8-11(10)15/h5-8,12H,1-4H3
InChIKeyGAXPHABRASNQSV-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.89
Rot. Bonds2

About N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide

N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 82118903) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
PubChem CID82118903
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C(C#N)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-14(2,3)13(18)17(4)12(9-16)10-7-5-6-8-11(10)15/h5-8,12H,1-4H3
InChIKeyGAXPHABRASNQSV-UHFFFAOYSA-N
XLogP2.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide
CID 82112840
N-[cyano-(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 82118902
N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 82114356
2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 114291471
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
CID 82123298
2-(2-fluorophenyl)-2-(N-methylsulfanylanilino)acetonitrile
CID 87813141
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide
CID 62984512
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
4-ethyl-2-(2-fluorophenyl)-3-oxohexanenitrile
CID 54977853
2-fluoro-2-(2-fluorophenyl)acetonitrile
CID 53400325
3,3,3-trifluoro-2-(2-fluorophenyl)propanenitrile
CID 79560257
4-cyclopropyl-2-(2-fluorophenyl)-3-oxopentanenitrile
CID 83155111

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide (CID 82118903) is N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)C(C#N)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is GAXPHABRASNQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-14(2,3)13(18)17(4)12(9-16)10-7-5-6-8-11(10)15/h5-8,12H,1-4H3.
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide?
N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 248.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 82118903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).