[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate

C19H15FN2O5 — CID 7194086

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O5/c20-13-5-7-14(8-6-13)22-17(23)10-21-18(24)11-26-19(25)16-9-12-3-1-2-4-15(12)27-16/h1-9H,10-11H2,(H,21,24)(H,22,23)
InChIKeyREVYHOLDASGHFN-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.48
Rot. Bonds6

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7194086) has the molecular formula C19H15FN2O5 and a molecular weight of 370.34 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7194086
Molecular FormulaC19H15FN2O5
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O5/c20-13-5-7-14(8-6-13)22-17(23)10-21-18(24)11-26-19(25)16-9-12-3-1-2-4-15(12)27-16/h1-9H,10-11H2,(H,21,24)(H,22,23)
InChIKeyREVYHOLDASGHFN-UHFFFAOYSA-N
XLogP2.48
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1-benzofuran-2-carboxylate
CID 7194079
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
[2-(4-nitroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194105
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584979
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7284197
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7473058
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 42978396

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7194086) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is REVYHOLDASGHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5/c20-13-5-7-14(8-6-13)22-17(23)10-21-18(24)11-26-19(25)16-9-12-3-1-2-4-15(12)27-16/h1-9H,10-11H2,(H,21,24)(H,22,23).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 370.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7194086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).