N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide

C18H18FNO2 — CID 90320191

IUPACN-fluoro-N-(oxan-4-yl)-2-phenylbenzamide
SMILESO=C(c1ccccc1-c1ccccc1)N(F)C1CCOCC1
InChIInChI=1S/C18H18FNO2/c19-20(15-10-12-22-13-11-15)18(21)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyDRFOHSXWHAWBLA-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.86
Rot. Bonds3

About N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide

N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide (PubChem CID 90320191) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-fluoro-N-(oxan-4-yl)-2-phenylbenzamide
PubChem CID90320191
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-fluoro-N-(oxan-4-yl)-2-phenylbenzamide
SMILESO=C(c1ccccc1-c1ccccc1)N(F)C1CCOCC1
InChIInChI=1S/C18H18FNO2/c19-20(15-10-12-22-13-11-15)18(21)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyDRFOHSXWHAWBLA-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide?
The IUPAC name of N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide (CID 90320191) is N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide.
What is the SMILES notation for N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide?
The canonical SMILES for N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide is O=C(c1ccccc1-c1ccccc1)N(F)C1CCOCC1.
What is the InChIKey of N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide?
The InChIKey is DRFOHSXWHAWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-20(15-10-12-22-13-11-15)18(21)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13H2.
What are the key properties of N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide?
N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide has a molecular weight of 299.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(oxan-4-yl)-2-phenylbenzamide is sourced from PubChem (CID 90320191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).