2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide

C15H19FN2O — CID 114291471

IUPAC2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-5-15(3,10-17)14(19)18(4)11(2)12-8-6-7-9-13(12)16/h6-9,11H,5H2,1-4H3
InChIKeyRHELEUDZRILPKX-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.28
Rot. Bonds4

About 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide

2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide (PubChem CID 114291471) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
PubChem CID114291471
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-5-15(3,10-17)14(19)18(4)11(2)12-8-6-7-9-13(12)16/h6-9,11H,5H2,1-4H3
InChIKeyRHELEUDZRILPKX-UHFFFAOYSA-N
XLogP3.28
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-cyano-N,2-dimethylbutanamide
CID 114291470
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2,2-trimethyl-3-sulfanylidenepropanamide
CID 62984512
N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 82118903
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984247
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide
CID 113270323
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
2-[[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65226301
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide (CID 114291471) is 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide is CCC(C)(C#N)C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
The InChIKey is RHELEUDZRILPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-15(3,10-17)14(19)18(4)11(2)12-8-6-7-9-13(12)16/h6-9,11H,5H2,1-4H3.
What are the key properties of 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide has a molecular weight of 262.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 114291471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).