4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide

C15H11F2NO3 — CID 3101991

IUPAC4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
SMILESO=C(NC(O)C(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO3/c16-11-5-1-9(2-6-11)13(19)15(21)18-14(20)10-3-7-12(17)8-4-10/h1-8,15,21H,(H,18,20)
InChIKeyJINXXCLEGJYDRU-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.90
Rot. Bonds4

About 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide

4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide (PubChem CID 3101991) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
PubChem CID3101991
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
SMILESO=C(NC(O)C(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO3/c16-11-5-1-9(2-6-11)13(19)15(21)18-14(20)10-3-7-12(17)8-4-10/h1-8,15,21H,(H,18,20)
InChIKeyJINXXCLEGJYDRU-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide (CID 3101991) is 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide is O=C(NC(O)C(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The InChIKey is JINXXCLEGJYDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-11-5-1-9(2-6-11)13(19)15(21)18-14(20)10-3-7-12(17)8-4-10/h1-8,15,21H,(H,18,20).
What are the key properties of 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide has a molecular weight of 291.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide is sourced from PubChem (CID 3101991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).