3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide

C23H19N3O3 — CID 156653487

IUPAC3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C23H19N3O3/c27-23(24-15-16-5-2-1-3-6-16)19-7-4-8-20(14-19)25-22(26-28)18-9-10-21-17(13-18)11-12-29-21/h1-14,28H,15H2,(H,24,27)(H,25,26)
InChIKeyJDGDVPQUQWKPBM-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.42
Rot. Bonds5

About 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide

3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide (PubChem CID 156653487) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide
PubChem CID156653487
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C23H19N3O3/c27-23(24-15-16-5-2-1-3-6-16)19-7-4-8-20(14-19)25-22(26-28)18-9-10-21-17(13-18)11-12-29-21/h1-14,28H,15H2,(H,24,27)(H,25,26)
InChIKeyJDGDVPQUQWKPBM-UHFFFAOYSA-N
XLogP4.42
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide 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-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide?
The IUPAC name of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide (CID 156653487) is 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide.
What is the SMILES notation for 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide?
The canonical SMILES for 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide is O=C(NCc1ccccc1)c1cccc(/N=C(\NO)c2ccc3occc3c2)c1.
What is the InChIKey of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide?
The InChIKey is JDGDVPQUQWKPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-23(24-15-16-5-2-1-3-6-16)19-7-4-8-20(14-19)25-22(26-28)18-9-10-21-17(13-18)11-12-29-21/h1-14,28H,15H2,(H,24,27)(H,25,26).
What are the key properties of 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide?
3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide has a molecular weight of 385.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-benzofuran-5-yl-(hydroxyamino)methylidene]amino]-N-benzylbenzamide is sourced from PubChem (CID 156653487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).