ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate

C16H13NO5 — CID 4603391

IUPACethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1ccco1
InChIInChI=1S/C16H13NO5/c1-2-20-16(19)14-13(10-6-3-4-7-11(10)22-14)17-15(18)12-8-5-9-21-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeyPKCHCJZRGLPILC-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.45
Rot. Bonds4

About ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate

ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate (PubChem CID 4603391) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate
PubChem CID4603391
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Nameethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1ccco1
InChIInChI=1S/C16H13NO5/c1-2-20-16(19)14-13(10-6-3-4-7-11(10)22-14)17-15(18)12-8-5-9-21-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeyPKCHCJZRGLPILC-UHFFFAOYSA-N
XLogP3.45
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate (CID 4603391) is ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccco1.
What is the InChIKey of ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate?
The InChIKey is PKCHCJZRGLPILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-2-20-16(19)14-13(10-6-3-4-7-11(10)22-14)17-15(18)12-8-5-9-21-12/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate?
ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-carbonylamino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 4603391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).