N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide

C16H12FN3O2 — CID 11162289

IUPACN-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)C(C#N)c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H12FN3O2/c1-10(21)20-15-8-12(6-7-19-15)16(22)14(9-18)11-2-4-13(17)5-3-11/h2-8,14H,1H3,(H,19,20,21)
InChIKeyWRAMFBNOYKKPPJ-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.67
Rot. Bonds4

About N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide

N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide (PubChem CID 11162289) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide
PubChem CID11162289
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)C(C#N)c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H12FN3O2/c1-10(21)20-15-8-12(6-7-19-15)16(22)14(9-18)11-2-4-13(17)5-3-11/h2-8,14H,1H3,(H,19,20,21)
InChIKeyWRAMFBNOYKKPPJ-UHFFFAOYSA-N
XLogP2.67
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156952
3-(4-ethylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334247
2-(4-fluorophenyl)-3-(5-iodothiophen-3-yl)-3-oxopropanenitrile
CID 79693426
2-(4-fluorophenyl)-5-methyl-3-oxohexanenitrile
CID 43156932
2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione
CID 59067792
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
3-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 62201071
3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-3-oxopropanenitrile
CID 107988461
3-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 61496328
2-(4-fluorophenyl)-3-oxo-4-propylheptanenitrile
CID 82985348
3-(2,5-dimethylfuran-3-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334213

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide (CID 11162289) is N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)C(C#N)c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide?
The InChIKey is WRAMFBNOYKKPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10(21)20-15-8-12(6-7-19-15)16(22)14(9-18)11-2-4-13(17)5-3-11/h2-8,14H,1H3,(H,19,20,21).
What are the key properties of N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide?
N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide has a molecular weight of 297.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11162289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).