[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate

C19H15NO5 — CID 2361312

IUPAC[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H15NO5/c21-18(13-24-19(22)17-10-5-11-23-17)20-14-6-4-9-16(12-14)25-15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
InChIKeyIMBFFKBFZLXNNU-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.87
Rot. Bonds6

About [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate

[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate (PubChem CID 2361312) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate
PubChem CID2361312
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H15NO5/c21-18(13-24-19(22)17-10-5-11-23-17)20-14-6-4-9-16(12-14)25-15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
InChIKeyIMBFFKBFZLXNNU-UHFFFAOYSA-N
XLogP3.87
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-phenoxybenzoate
CID 7985162
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-(trifluoromethyl)benzoate
CID 2427103
2-[3-[2-oxo-2-(3-phenoxyanilino)ethoxy]phenyl]acetamide
CID 48934810
[2-oxo-2-(3-phenoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 16523043
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715177
[2-oxo-2-(3-phenoxyanilino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5189976
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-phenoxybenzoate
CID 16521998

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate (CID 2361312) is [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate?
The InChIKey is IMBFFKBFZLXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-18(13-24-19(22)17-10-5-11-23-17)20-14-6-4-9-16(12-14)25-15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21).
What are the key properties of [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate?
[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate is sourced from PubChem (CID 2361312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).