2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide

C13H11FN2O2S — CID 3895307

IUPAC2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESO=C(COc1ccccc1F)NN=Cc1cccs1
InChIInChI=1S/C13H11FN2O2S/c14-11-5-1-2-6-12(11)18-9-13(17)16-15-8-10-4-3-7-19-10/h1-8H,9H2,(H,16,17)
InChIKeyDALAOINJYUMMGP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide

2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide (PubChem CID 3895307) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
PubChem CID3895307
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESO=C(COc1ccccc1F)NN=Cc1cccs1
InChIInChI=1S/C13H11FN2O2S/c14-11-5-1-2-6-12(11)18-9-13(17)16-15-8-10-4-3-7-19-10/h1-8H,9H2,(H,16,17)
InChIKeyDALAOINJYUMMGP-UHFFFAOYSA-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

2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395
2-(2-phenylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 922521
2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 2594807
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 4263096
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
[4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 29226515
2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 4922231
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5446377

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide (CID 3895307) is 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide is O=C(COc1ccccc1F)NN=Cc1cccs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
The InChIKey is DALAOINJYUMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-11-5-1-2-6-12(11)18-9-13(17)16-15-8-10-4-3-7-19-10/h1-8H,9H2,(H,16,17).
What are the key properties of 2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide?
2-(2-fluorophenoxy)-N-(thiophen-2-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-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 3895307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).