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

C9H7FN2O2 — CID 79194261

IUPACN-cyano-2-(4-fluorophenoxy)acetamide
SMILESN#CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C9H7FN2O2/c10-7-1-3-8(4-2-7)14-5-9(13)12-6-11/h1-4H,5H2,(H,12,13)
InChIKeyBMBDADWZEUOJKL-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.80
Rot. Bonds3

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

N-cyano-2-(4-fluorophenoxy)acetamide (PubChem CID 79194261) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is N-cyano-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-cyano-2-(4-fluorophenoxy)acetamide
PubChem CID79194261
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC NameN-cyano-2-(4-fluorophenoxy)acetamide
SMILESN#CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C9H7FN2O2/c10-7-1-3-8(4-2-7)14-5-9(13)12-6-11/h1-4H,5H2,(H,12,13)
InChIKeyBMBDADWZEUOJKL-UHFFFAOYSA-N
XLogP0.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
CID 9415681
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-cyano-3-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 76879710
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-cyano-2-(4-fluorophenoxy)acetamide (CID 79194261) is N-cyano-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-cyano-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-cyano-2-(4-fluorophenoxy)acetamide is N#CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-cyano-2-(4-fluorophenoxy)acetamide?
The InChIKey is BMBDADWZEUOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-1-3-8(4-2-7)14-5-9(13)12-6-11/h1-4H,5H2,(H,12,13).
What are the key properties of N-cyano-2-(4-fluorophenoxy)acetamide?
N-cyano-2-(4-fluorophenoxy)acetamide has a molecular weight of 194.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 79194261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).