methyl 2-(1-benzofuran-2-carbonylamino)benzoate

C17H13NO4 — CID 678887

IUPACmethyl 2-(1-benzofuran-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c1-21-17(20)12-7-3-4-8-13(12)18-16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,18,19)
InChIKeyOMLKIKNLOHRWFC-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.47
Rot. Bonds3

About methyl 2-(1-benzofuran-2-carbonylamino)benzoate

methyl 2-(1-benzofuran-2-carbonylamino)benzoate (PubChem CID 678887) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is methyl 2-(1-benzofuran-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(1-benzofuran-2-carbonylamino)benzoate
PubChem CID678887
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Namemethyl 2-(1-benzofuran-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c1-21-17(20)12-7-3-4-8-13(12)18-16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,18,19)
InChIKeyOMLKIKNLOHRWFC-UHFFFAOYSA-N
XLogP3.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzofuran-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-(1-benzofuran-2-carbonylamino)benzoate (CID 678887) is methyl 2-(1-benzofuran-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-(1-benzofuran-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-(1-benzofuran-2-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of methyl 2-(1-benzofuran-2-carbonylamino)benzoate?
The InChIKey is OMLKIKNLOHRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-17(20)12-7-3-4-8-13(12)18-16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,18,19).
What are the key properties of methyl 2-(1-benzofuran-2-carbonylamino)benzoate?
methyl 2-(1-benzofuran-2-carbonylamino)benzoate has a molecular weight of 295.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzofuran-2-carbonylamino)benzoate is sourced from PubChem (CID 678887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).