[4-(propanoylamino)phenyl] 2-fluorobenzoate

C16H14FNO3 — CID 17087286

IUPAC[4-(propanoylamino)phenyl] 2-fluorobenzoate
SMILESCCC(=O)Nc1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H14FNO3/c1-2-15(19)18-11-7-9-12(10-8-11)21-16(20)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHRDUSVROMXGLTJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds4

About [4-(propanoylamino)phenyl] 2-fluorobenzoate

[4-(propanoylamino)phenyl] 2-fluorobenzoate (PubChem CID 17087286) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [4-(propanoylamino)phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-(propanoylamino)phenyl] 2-fluorobenzoate
PubChem CID17087286
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[4-(propanoylamino)phenyl] 2-fluorobenzoate
SMILESCCC(=O)Nc1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H14FNO3/c1-2-15(19)18-11-7-9-12(10-8-11)21-16(20)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHRDUSVROMXGLTJ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(propanoylamino)phenyl] 2-fluorobenzoate 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 [4-(propanoylamino)phenyl] 2-fluorobenzoate?
The IUPAC name of [4-(propanoylamino)phenyl] 2-fluorobenzoate (CID 17087286) is [4-(propanoylamino)phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-(propanoylamino)phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-(propanoylamino)phenyl] 2-fluorobenzoate is CCC(=O)Nc1ccc(OC(=O)c2ccccc2F)cc1.
What is the InChIKey of [4-(propanoylamino)phenyl] 2-fluorobenzoate?
The InChIKey is HRDUSVROMXGLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-2-15(19)18-11-7-9-12(10-8-11)21-16(20)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of [4-(propanoylamino)phenyl] 2-fluorobenzoate?
[4-(propanoylamino)phenyl] 2-fluorobenzoate has a molecular weight of 287.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propanoylamino)phenyl] 2-fluorobenzoate is sourced from PubChem (CID 17087286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).