phenacyl 2-(2-fluoroanilino)benzoate

C21H16FNO3 — CID 2725405

IUPACphenacyl 2-(2-fluoroanilino)benzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C21H16FNO3/c22-17-11-5-7-13-19(17)23-18-12-6-4-10-16(18)21(25)26-14-20(24)15-8-2-1-3-9-15/h1-13,23H,14H2
InChIKeyZISBBNSXYPXIOR-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.61
Rot. Bonds6

About phenacyl 2-(2-fluoroanilino)benzoate

phenacyl 2-(2-fluoroanilino)benzoate (PubChem CID 2725405) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is phenacyl 2-(2-fluoroanilino)benzoate.

Molecular Properties

Compound Namephenacyl 2-(2-fluoroanilino)benzoate
PubChem CID2725405
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Namephenacyl 2-(2-fluoroanilino)benzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C21H16FNO3/c22-17-11-5-7-13-19(17)23-18-12-6-4-10-16(18)21(25)26-14-20(24)15-8-2-1-3-9-15/h1-13,23H,14H2
InChIKeyZISBBNSXYPXIOR-UHFFFAOYSA-N
XLogP4.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenacyl 2-(2-fluoroanilino)benzoate 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 phenacyl 2-(2-fluoroanilino)benzoate?
The IUPAC name of phenacyl 2-(2-fluoroanilino)benzoate (CID 2725405) is phenacyl 2-(2-fluoroanilino)benzoate.
What is the SMILES notation for phenacyl 2-(2-fluoroanilino)benzoate?
The canonical SMILES for phenacyl 2-(2-fluoroanilino)benzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1F)c1ccccc1.
What is the InChIKey of phenacyl 2-(2-fluoroanilino)benzoate?
The InChIKey is ZISBBNSXYPXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-17-11-5-7-13-19(17)23-18-12-6-4-10-16(18)21(25)26-14-20(24)15-8-2-1-3-9-15/h1-13,23H,14H2.
What are the key properties of phenacyl 2-(2-fluoroanilino)benzoate?
phenacyl 2-(2-fluoroanilino)benzoate has a molecular weight of 349.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(2-fluoroanilino)benzoate is sourced from PubChem (CID 2725405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).