2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide

C14H13FN2O2S — CID 2594807

IUPAC2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1C=NNC(=O)COc1ccccc1F
InChIInChI=1S/C14H13FN2O2S/c1-10-6-7-20-13(10)8-16-17-14(18)9-19-12-5-3-2-4-11(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAGQVCIUGDWCLIG-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.72
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide

2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 2594807) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID2594807
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1C=NNC(=O)COc1ccccc1F
InChIInChI=1S/C14H13FN2O2S/c1-10-6-7-20-13(10)8-16-17-14(18)9-19-12-5-3-2-4-11(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAGQVCIUGDWCLIG-UHFFFAOYSA-N
XLogP2.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.72
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-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 3263674
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
2-(3,4-dimethylphenoxy)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 6023409
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
2-(2-bromo-4-tert-butylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4922143
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 3349452
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 2594807) is 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccsc1C=NNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is AGQVCIUGDWCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-10-6-7-20-13(10)8-16-17-14(18)9-19-12-5-3-2-4-11(12)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-(2-fluorophenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.72, 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-[(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 2594807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).