N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide

C21H13N3O5 — CID 4889724

IUPACN-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(C2OC(=O)c3ccccc32)c2ccccc12)c1ccco1
InChIInChI=1S/C21H13N3O5/c25-18(16-10-5-11-28-16)23-22-17-14-8-3-4-9-15(14)24(19(17)26)20-12-6-1-2-7-13(12)21(27)29-20/h1-11,20,26H/b23-22+
InChIKeyDMFOUMKRDVWWBK-GHVJWSGMSA-N
MW387.35 g/mol
LogP4.58
Rot. Bonds3

About N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide

N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide (PubChem CID 4889724) has the molecular formula C21H13N3O5 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide
PubChem CID4889724
Molecular FormulaC21H13N3O5
Molecular Weight387.35 g/mol
Exact Mass387.09
IUPAC NameN-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(C2OC(=O)c3ccccc32)c2ccccc12)c1ccco1
InChIInChI=1S/C21H13N3O5/c25-18(16-10-5-11-28-16)23-22-17-14-8-3-4-9-15(14)24(19(17)26)20-12-6-1-2-7-13(12)21(27)29-20/h1-11,20,26H/b23-22+
InChIKeyDMFOUMKRDVWWBK-GHVJWSGMSA-N
XLogP4.58
TPSA106.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide (CID 4889724) is N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide is O=C(/N=N/c1c(O)n(C2OC(=O)c3ccccc32)c2ccccc12)c1ccco1.
What is the InChIKey of N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide?
The InChIKey is DMFOUMKRDVWWBK-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H13N3O5/c25-18(16-10-5-11-28-16)23-22-17-14-8-3-4-9-15(14)24(19(17)26)20-12-6-1-2-7-13(12)21(27)29-20/h1-11,20,26H/b23-22+.
What are the key properties of N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide?
N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide is sourced from PubChem (CID 4889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).