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

C13H11FN2O2S — CID 9241892

IUPAC2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C\c1ccsc1
InChIInChI=1S/C13H11FN2O2S/c14-11-2-1-3-12(6-11)18-8-13(17)16-15-7-10-4-5-19-9-10/h1-7,9H,8H2,(H,16,17)/b15-7-
InChIKeyPPBLCYPTCGJCFD-CHHVJCJISA-N
MW278.31 g/mol
LogP2.42
Rot. Bonds5

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

2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide (PubChem CID 9241892) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
PubChem CID9241892
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C\c1ccsc1
InChIInChI=1S/C13H11FN2O2S/c14-11-2-1-3-12(6-11)18-8-13(17)16-15-7-10-4-5-19-9-10/h1-7,9H,8H2,(H,16,17)/b15-7-
InChIKeyPPBLCYPTCGJCFD-CHHVJCJISA-N
XLogP2.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.42
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

4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
CID 4980484
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9217295
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide
CID 9240663
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9242517
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide (CID 9241892) is 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is O=C(COc1cccc(F)c1)N/N=C\c1ccsc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
The InChIKey is PPBLCYPTCGJCFD-CHHVJCJISA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-11-2-1-3-12(6-11)18-8-13(17)16-15-7-10-4-5-19-9-10/h1-7,9H,8H2,(H,16,17)/b15-7-.
What are the key properties of 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide has a molecular weight of 278.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 9241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).