2-cyano-N-(4-fluorophenyl)-2-methylpropanamide

C11H11FN2O — CID 60778732

IUPAC2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-11(2,7-13)10(15)14-9-5-3-8(12)4-6-9/h3-6H,1-2H3,(H,14,15)
InChIKeyFOLKCRWTDPHXBJ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.31
Rot. Bonds2

About 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide

2-cyano-N-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 60778732) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
PubChem CID60778732
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-11(2,7-13)10(15)14-9-5-3-8(12)4-6-9/h3-6H,1-2H3,(H,14,15)
InChIKeyFOLKCRWTDPHXBJ-UHFFFAOYSA-N
XLogP2.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-2-methyl-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115174921
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
2-cyano-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 60779241
2-cyano-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60778781
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
CID 103824740
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
CID 115174966
N-(4-acetamidophenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197459
2-cyano-2-methyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 75418530
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide (CID 60778732) is 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is FOLKCRWTDPHXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-11(2,7-13)10(15)14-9-5-3-8(12)4-6-9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 206.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 60778732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).