ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate

C18H16N2O5 — CID 2811190

IUPACethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)OC3)c1
InChIInChI=1S/C18H16N2O5/c1-2-24-16(21)11-4-3-5-13(8-11)19-18(23)20-14-7-6-12-10-25-17(22)15(12)9-14/h3-9H,2,10H2,1H3,(H2,19,20,23)
InChIKeyQQYZOZVOIQCDOD-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.18
Rot. Bonds4

About ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate

ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate (PubChem CID 2811190) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate
PubChem CID2811190
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Nameethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)OC3)c1
InChIInChI=1S/C18H16N2O5/c1-2-24-16(21)11-4-3-5-13(8-11)19-18(23)20-14-7-6-12-10-25-17(22)15(12)9-14/h3-9H,2,10H2,1H3,(H2,19,20,23)
InChIKeyQQYZOZVOIQCDOD-UHFFFAOYSA-N
XLogP3.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate (CID 2811190) is ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)OC3)c1.
What is the InChIKey of ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate?
The InChIKey is QQYZOZVOIQCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-2-24-16(21)11-4-3-5-13(8-11)19-18(23)20-14-7-6-12-10-25-17(22)15(12)9-14/h3-9H,2,10H2,1H3,(H2,19,20,23).
What are the key properties of ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate?
ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-oxo-1H-2-benzofuran-5-yl)carbamoylamino]benzoate is sourced from PubChem (CID 2811190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).