4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide

C15H12FNO3 — CID 3583645

IUPAC4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
SMILESO=C(NC(O)C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)14(19)17-15(20)13(18)10-4-2-1-3-5-10/h1-9,15,20H,(H,17,19)
InChIKeyOIAKFSAJTKFXNU-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.76
Rot. Bonds4

About 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide

4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide (PubChem CID 3583645) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
PubChem CID3583645
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
SMILESO=C(NC(O)C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)14(19)17-15(20)13(18)10-4-2-1-3-5-10/h1-9,15,20H,(H,17,19)
InChIKeyOIAKFSAJTKFXNU-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.76
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-(1-hydroxy-2-oxo-2-phenylethyl)benzamide?
The IUPAC name of 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide (CID 3583645) is 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide is O=C(NC(O)C(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide?
The InChIKey is OIAKFSAJTKFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-8-6-11(7-9-12)14(19)17-15(20)13(18)10-4-2-1-3-5-10/h1-9,15,20H,(H,17,19).
What are the key properties of 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide?
4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide has a molecular weight of 273.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide is sourced from PubChem (CID 3583645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).