[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate

C23H17NO4 — CID 7193648

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H17NO4/c25-22(15-27-23(26)21-14-17-10-4-7-13-20(17)28-21)24-19-12-6-5-11-18(19)16-8-2-1-3-9-16/h1-14H,15H2,(H,24,25)
InChIKeyPGXAYURRHGWLAU-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.90
Rot. Bonds5

About [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate

[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193648) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
PubChem CID7193648
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H17NO4/c25-22(15-27-23(26)21-14-17-10-4-7-13-20(17)28-21)24-19-12-6-5-11-18(19)16-8-2-1-3-9-16/h1-14H,15H2,(H,24,25)
InChIKeyPGXAYURRHGWLAU-UHFFFAOYSA-N
XLogP4.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylanilino)ethyl] 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-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194054
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
CID 7828531
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193998
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193712
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate (CID 7193648) is [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is PGXAYURRHGWLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-22(15-27-23(26)21-14-17-10-4-7-13-20(17)28-21)24-19-12-6-5-11-18(19)16-8-2-1-3-9-16/h1-14H,15H2,(H,24,25).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate?
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).