(4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate

C17H15F2NO3 — CID 175241510

IUPAC(4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate
SMILESCCCC(=O)ON(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c1-2-3-16(21)23-20(15-10-8-14(19)9-11-15)17(22)12-4-6-13(18)7-5-12/h4-11H,2-3H2,1H3
InChIKeySZOZGWJDVCLFBA-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.87
Rot. Bonds4

About (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate

(4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate (PubChem CID 175241510) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate.

Molecular Properties

Compound Name(4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate
PubChem CID175241510
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate
SMILESCCCC(=O)ON(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO3/c1-2-3-16(21)23-20(15-10-8-14(19)9-11-15)17(22)12-4-6-13(18)7-5-12/h4-11H,2-3H2,1H3
InChIKeySZOZGWJDVCLFBA-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate?
The IUPAC name of (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate (CID 175241510) is (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate.
What is the SMILES notation for (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate?
The canonical SMILES for (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate is CCCC(=O)ON(C(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate?
The InChIKey is SZOZGWJDVCLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-2-3-16(21)23-20(15-10-8-14(19)9-11-15)17(22)12-4-6-13(18)7-5-12/h4-11H,2-3H2,1H3.
What are the key properties of (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate?
(4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate has a molecular weight of 319.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-N-(4-fluorobenzoyl)anilino) butanoate is sourced from PubChem (CID 175241510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).