4-fluoro-N-(oxan-4-yl)benzamide

C12H14FNO2 — CID 51085941

IUPAC4-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-16-8-6-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyCWEDFHCGAXYXOT-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds2

About 4-fluoro-N-(oxan-4-yl)benzamide

4-fluoro-N-(oxan-4-yl)benzamide (PubChem CID 51085941) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-fluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(oxan-4-yl)benzamide
PubChem CID51085941
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-16-8-6-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyCWEDFHCGAXYXOT-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(oxan-4-yl)benzamide (CID 51085941) is 4-fluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(oxan-4-yl)benzamide?
The InChIKey is CWEDFHCGAXYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-16-8-6-11/h1-4,11H,5-8H2,(H,14,15).
What are the key properties of 4-fluoro-N-(oxan-4-yl)benzamide?
4-fluoro-N-(oxan-4-yl)benzamide has a molecular weight of 223.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 51085941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).