2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide

C15H12FN3O2 — CID 168523388

IUPAC2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C15H12FN3O2/c16-13-9-11(19-15(20)6-7-17)4-5-14(13)21-10-12-3-1-2-8-18-12/h1-5,8-9H,6,10H2,(H,19,20)
InChIKeyCCWNNYZCWDVYBJ-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.65
Rot. Bonds5

About 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide

2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide (PubChem CID 168523388) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
PubChem CID168523388
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C15H12FN3O2/c16-13-9-11(19-15(20)6-7-17)4-5-14(13)21-10-12-3-1-2-8-18-12/h1-5,8-9H,6,10H2,(H,19,20)
InChIKeyCCWNNYZCWDVYBJ-UHFFFAOYSA-N
XLogP2.65
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71865991
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide (CID 168523388) is 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide is N#CCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide?
The InChIKey is CCWNNYZCWDVYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-13-9-11(19-15(20)6-7-17)4-5-14(13)21-10-12-3-1-2-8-18-12/h1-5,8-9H,6,10H2,(H,19,20).
What are the key properties of 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide?
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 285.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 168523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).