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

C9H7FN2O — CID 11344323

IUPACN-(4-cyano-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C9H7FN2O/c1-6(13)12-9-3-2-7(5-11)4-8(9)10/h2-4H,1H3,(H,12,13)
InChIKeyRJQKBNJSMFICEY-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.66
Rot. Bonds1

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

N-(4-cyano-2-fluorophenyl)acetamide (PubChem CID 11344323) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)acetamide
PubChem CID11344323
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC NameN-(4-cyano-2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C9H7FN2O/c1-6(13)12-9-3-2-7(5-11)4-8(9)10/h2-4H,1H3,(H,12,13)
InChIKeyRJQKBNJSMFICEY-UHFFFAOYSA-N
XLogP1.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
CID 78916095
3-amino-4-fluorobenzonitrile;N-(5-cyano-2-fluorophenyl)acetamide
CID 158537950
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
CID 133287896
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2-(4-cyano-2-fluoroanilino)propanoic acid
CID 43656940
[(2S)-1-(4-cyano-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 91510613
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
CID 104685438
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)acetamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)acetamide (CID 11344323) is N-(4-cyano-2-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)acetamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)acetamide is CC(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)acetamide?
The InChIKey is RJQKBNJSMFICEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-6(13)12-9-3-2-7(5-11)4-8(9)10/h2-4H,1H3,(H,12,13).
What are the key properties of N-(4-cyano-2-fluorophenyl)acetamide?
N-(4-cyano-2-fluorophenyl)acetamide has a molecular weight of 178.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)acetamide is sourced from PubChem (CID 11344323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).