N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

C23H17FN2O2 — CID 23824081

IUPACN-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1F)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17FN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28)
InChIKeyJEELNKQZTXCYDW-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.60
Rot. Bonds4

About N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide

N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (PubChem CID 23824081) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
PubChem CID23824081
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC NameN-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1F)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H17FN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28)
InChIKeyJEELNKQZTXCYDW-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide 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-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide (CID 23824081) is N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is O=C(NC(c1ccccc1F)c1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
The InChIKey is JEELNKQZTXCYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c24-19-11-5-4-10-17(19)21(26-23(28)16-7-2-1-3-8-16)18-13-12-15-9-6-14-25-20(15)22(18)27/h1-14,21,27H,(H,26,28).
What are the key properties of N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide?
N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]benzamide is sourced from PubChem (CID 23824081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).