2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide

C15H14FN3O2 — CID 6089555

IUPAC2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H14FN3O2/c1-11(14-4-2-3-9-17-14)18-19-15(20)10-21-13-7-5-12(16)6-8-13/h2-9H,10H2,1H3,(H,19,20)/b18-11-
InChIKeyNMDXPYWBSZVKRB-WQRHYEAKSA-N
MW287.29 g/mol
LogP2.14
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide

2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide (PubChem CID 6089555) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
PubChem CID6089555
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H14FN3O2/c1-11(14-4-2-3-9-17-14)18-19-15(20)10-21-13-7-5-12(16)6-8-13/h2-9H,10H2,1H3,(H,19,20)/b18-11-
InChIKeyNMDXPYWBSZVKRB-WQRHYEAKSA-N
XLogP2.14
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 9316764
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3256701
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide (CID 6089555) is 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
The InChIKey is NMDXPYWBSZVKRB-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-11(14-4-2-3-9-17-14)18-19-15(20)10-21-13-7-5-12(16)6-8-13/h2-9H,10H2,1H3,(H,19,20)/b18-11-.
What are the key properties of 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide has a molecular weight of 287.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide is sourced from PubChem (CID 6089555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).