ethyl 3-(1-benzofuran-2-carbonylamino)benzoate

C18H15NO4 — CID 682562

IUPACethyl 3-(1-benzofuran-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H15NO4/c1-2-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-4-9-15(12)23-16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyIANBWWKJDIHYFC-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.86
Rot. Bonds4

About ethyl 3-(1-benzofuran-2-carbonylamino)benzoate

ethyl 3-(1-benzofuran-2-carbonylamino)benzoate (PubChem CID 682562) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 3-(1-benzofuran-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(1-benzofuran-2-carbonylamino)benzoate
PubChem CID682562
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl 3-(1-benzofuran-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H15NO4/c1-2-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-4-9-15(12)23-16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyIANBWWKJDIHYFC-UHFFFAOYSA-N
XLogP3.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate (CID 682562) is ethyl 3-(1-benzofuran-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(1-benzofuran-2-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
The InChIKey is IANBWWKJDIHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-4-9-15(12)23-16/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
ethyl 3-(1-benzofuran-2-carbonylamino)benzoate has a molecular weight of 309.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzofuran-2-carbonylamino)benzoate is sourced from PubChem (CID 682562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).