2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide

C23H18FN3O2 — CID 55824933

IUPAC2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C23H18FN3O2/c24-19-7-3-6-18(13-19)15-22(28)26-16-23(29)27-21-9-4-5-17(14-21)10-11-20-8-1-2-12-25-20/h1-9,12-14H,15-16H2,(H,26,28)(H,27,29)
InChIKeyXFEFDIYGBZBTMX-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide

2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide (PubChem CID 55824933) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
PubChem CID55824933
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C23H18FN3O2/c24-19-7-3-6-18(13-19)15-22(28)26-16-23(29)27-21-9-4-5-17(14-21)10-11-20-8-1-2-12-25-20/h1-9,12-14H,15-16H2,(H,26,28)(H,27,29)
InChIKeyXFEFDIYGBZBTMX-UHFFFAOYSA-N
XLogP2.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide
CID 25331932
4-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18225707
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 55539689
methyl 3-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethynyl]benzoate
CID 18283964
3-bromo-5-fluoro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55718669
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 18283760

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide (CID 55824933) is 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide is O=C(Cc1cccc(F)c1)NCC(=O)Nc1cccc(C#Cc2ccccn2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide?
The InChIKey is XFEFDIYGBZBTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-7-3-6-18(13-19)15-22(28)26-16-23(29)27-21-9-4-5-17(14-21)10-11-20-8-1-2-12-25-20/h1-9,12-14H,15-16H2,(H,26,28)(H,27,29).
What are the key properties of 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide is sourced from PubChem (CID 55824933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).