2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide

C17H13FN4O2 — CID 9217295

IUPAC2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C17H13FN4O2/c18-12-4-3-5-14(8-12)24-11-17(23)22-20-10-13-9-19-15-6-1-2-7-16(15)21-13/h1-10H,11H2,(H,22,23)/b20-10-
InChIKeyFAQUMIWZNLZEBW-JMIUGGIZSA-N
MW324.32 g/mol
LogP2.30
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide

2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide (PubChem CID 9217295) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
PubChem CID9217295
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C17H13FN4O2/c18-12-4-3-5-14(8-12)24-11-17(23)22-20-10-13-9-19-15-6-1-2-7-16(15)21-13/h1-10H,11H2,(H,22,23)/b20-10-
InChIKeyFAQUMIWZNLZEBW-JMIUGGIZSA-N
XLogP2.30
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9218208
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide
CID 9240663
2-fluoro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9214964
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(benzotriazol-1-yl)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 8978650
N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
CID 9194647

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide (CID 9217295) is 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide is O=C(COc1cccc(F)c1)N/N=C\c1cnc2ccccc2n1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide?
The InChIKey is FAQUMIWZNLZEBW-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-4-3-5-14(8-12)24-11-17(23)22-20-10-13-9-19-15-6-1-2-7-16(15)21-13/h1-10H,11H2,(H,22,23)/b20-10-.
What are the key properties of 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide?
2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide has a molecular weight of 324.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 9217295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).