ethyl 2-[(2-fluorobenzoyl)amino]benzoate

C16H14FNO3 — CID 579501

IUPACethyl 2-[(2-fluorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-2-21-16(20)12-8-4-6-10-14(12)18-15(19)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyXHFJQORLFWAWEH-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.25
Rot. Bonds4

About ethyl 2-[(2-fluorobenzoyl)amino]benzoate

ethyl 2-[(2-fluorobenzoyl)amino]benzoate (PubChem CID 579501) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is ethyl 2-[(2-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorobenzoyl)amino]benzoate
PubChem CID579501
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Nameethyl 2-[(2-fluorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-2-21-16(20)12-8-4-6-10-14(12)18-15(19)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyXHFJQORLFWAWEH-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2-fluorobenzoyl)amino]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 ethyl 2-[(2-fluorobenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-fluorobenzoyl)amino]benzoate (CID 579501) is ethyl 2-[(2-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-fluorobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-fluorobenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorobenzoyl)amino]benzoate?
The InChIKey is XHFJQORLFWAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-2-21-16(20)12-8-4-6-10-14(12)18-15(19)11-7-3-5-9-13(11)17/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[(2-fluorobenzoyl)amino]benzoate?
ethyl 2-[(2-fluorobenzoyl)amino]benzoate has a molecular weight of 287.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 579501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).