N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide

C26H19NO3 — CID 141062553

IUPACN-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCc1ccc2c(-c3ccccc3)c(O)ccc2c1)c1coc2ccccc12
InChIInChI=1S/C26H19NO3/c28-23-13-11-19-14-17(10-12-20(19)25(23)18-6-2-1-3-7-18)15-27-26(29)22-16-30-24-9-5-4-8-21(22)24/h1-14,16,28H,15H2,(H,27,29)
InChIKeyFGPAWNMLWNXDAQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.89
Rot. Bonds4

About N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide

N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 141062553) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide
PubChem CID141062553
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC NameN-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCc1ccc2c(-c3ccccc3)c(O)ccc2c1)c1coc2ccccc12
InChIInChI=1S/C26H19NO3/c28-23-13-11-19-14-17(10-12-20(19)25(23)18-6-2-1-3-7-18)15-27-26(29)22-16-30-24-9-5-4-8-21(22)24/h1-14,16,28H,15H2,(H,27,29)
InChIKeyFGPAWNMLWNXDAQ-UHFFFAOYSA-N
XLogP5.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide 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 N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide (CID 141062553) is N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide is O=C(NCc1ccc2c(-c3ccccc3)c(O)ccc2c1)c1coc2ccccc12.
What is the InChIKey of N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is FGPAWNMLWNXDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-23-13-11-19-14-17(10-12-20(19)25(23)18-6-2-1-3-7-18)15-27-26(29)22-16-30-24-9-5-4-8-21(22)24/h1-14,16,28H,15H2,(H,27,29).
What are the key properties of N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide?
N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hydroxy-5-phenylnaphthalen-2-yl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 141062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).