2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate

C20H16FNO5 — CID 9139702

IUPAC2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCCOc1ccccc1F)c1ccco1
InChIInChI=1S/C20H16FNO5/c21-15-7-2-4-9-17(15)26-12-13-27-20(24)14-6-1-3-8-16(14)22-19(23)18-10-5-11-25-18/h1-11H,12-13H2,(H,22,23)
InChIKeyAGNWDMWXASNCCF-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.91
Rot. Bonds7

About 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate

2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate (PubChem CID 9139702) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate
PubChem CID9139702
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)OCCOc1ccccc1F)c1ccco1
InChIInChI=1S/C20H16FNO5/c21-15-7-2-4-9-17(15)26-12-13-27-20(24)14-6-1-3-8-16(14)22-19(23)18-10-5-11-25-18/h1-11H,12-13H2,(H,22,23)
InChIKeyAGNWDMWXASNCCF-UHFFFAOYSA-N
XLogP3.91
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate
CID 9139699
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440293
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 8578938
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate (CID 9139702) is 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate is O=C(Nc1ccccc1C(=O)OCCOc1ccccc1F)c1ccco1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate?
The InChIKey is AGNWDMWXASNCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c21-15-7-2-4-9-17(15)26-12-13-27-20(24)14-6-1-3-8-16(14)22-19(23)18-10-5-11-25-18/h1-11H,12-13H2,(H,22,23).
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate?
2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate has a molecular weight of 369.35 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 9139702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).