2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide

C13H15FN2O — CID 113270323

IUPAC2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-4-13(2,9-15)12(17)16(3)11-7-5-6-10(14)8-11/h5-8H,4H2,1-3H3
InChIKeyIADVDQVQNRRYTG-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.73
Rot. Bonds3

About 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide

2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide (PubChem CID 113270323) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide
PubChem CID113270323
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-4-13(2,9-15)12(17)16(3)11-7-5-6-10(14)8-11/h5-8H,4H2,1-3H3
InChIKeyIADVDQVQNRRYTG-UHFFFAOYSA-N
XLogP2.73
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide
CID 114291393
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
2-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethylbutanamide
CID 114291206
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
2-cyano-N-[(3-cyanophenyl)methyl]-N,2-dimethylbutanamide
CID 114291466
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
N-[1-(3-chlorophenyl)ethyl]-2-cyano-N,2-dimethylbutanamide
CID 114291470
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide (CID 113270323) is 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide is CCC(C)(C#N)C(=O)N(C)c1cccc(F)c1.
What is the InChIKey of 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide?
The InChIKey is IADVDQVQNRRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-4-13(2,9-15)12(17)16(3)11-7-5-6-10(14)8-11/h5-8H,4H2,1-3H3.
What are the key properties of 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide?
2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide has a molecular weight of 234.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 113270323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).