N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide

C18H15FN2O3 — CID 3377466

IUPACN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccccc1F)c1cc2ccccc2o1
InChIInChI=1S/C18H15FN2O3/c1-12(17-10-13-6-2-4-8-15(13)24-17)20-21-18(22)11-23-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyWAAIAVPUYIIDES-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide

N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 3377466) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID3377466
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccccc1F)c1cc2ccccc2o1
InChIInChI=1S/C18H15FN2O3/c1-12(17-10-13-6-2-4-8-15(13)24-17)20-21-18(22)11-23-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyWAAIAVPUYIIDES-UHFFFAOYSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.49
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

N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
2-(2-cyanophenoxy)-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]acetamide
CID 9467525
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9393212
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881374

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide (CID 3377466) is N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide is CC(=NNC(=O)COc1ccccc1F)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is WAAIAVPUYIIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-12(17-10-13-6-2-4-8-15(13)24-17)20-21-18(22)11-23-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 326.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 3377466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).