[3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid

C15H12BNO4 — CID 175809108

IUPAC[3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid
SMILESO=C(Nc1cccc(B(O)O)c1)c1cccc2ccoc12
InChIInChI=1S/C15H12BNO4/c18-15(13-6-1-3-10-7-8-21-14(10)13)17-12-5-2-4-11(9-12)16(19)20/h1-9,19-20H,(H,17,18)
InChIKeyHNXQCWIDVRXZBT-UHFFFAOYSA-N
MW281.08 g/mol
LogP1.36
Rot. Bonds3

About [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid

[3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid (PubChem CID 175809108) has the molecular formula C15H12BNO4 and a molecular weight of 281.08 g/mol. Its IUPAC name is [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid
PubChem CID175809108
Molecular FormulaC15H12BNO4
Molecular Weight281.08 g/mol
Exact Mass281.09
IUPAC Name[3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid
SMILESO=C(Nc1cccc(B(O)O)c1)c1cccc2ccoc12
InChIInChI=1S/C15H12BNO4/c18-15(13-6-1-3-10-7-8-21-14(10)13)17-12-5-2-4-11(9-12)16(19)20/h1-9,19-20H,(H,17,18)
InChIKeyHNXQCWIDVRXZBT-UHFFFAOYSA-N
XLogP1.36
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid?
The IUPAC name of [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid (CID 175809108) is [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid.
What is the SMILES notation for [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid?
The canonical SMILES for [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid is O=C(Nc1cccc(B(O)O)c1)c1cccc2ccoc12.
What is the InChIKey of [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid?
The InChIKey is HNXQCWIDVRXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BNO4/c18-15(13-6-1-3-10-7-8-21-14(10)13)17-12-5-2-4-11(9-12)16(19)20/h1-9,19-20H,(H,17,18).
What are the key properties of [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid?
[3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid has a molecular weight of 281.08 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzofuran-7-carbonylamino)phenyl]boronic acid is sourced from PubChem (CID 175809108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).