2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide

C13H16FNO2 — CID 2971183

IUPAC2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1F)C1CCCO1
InChIInChI=1S/C13H16FNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,15,16)
InChIKeyCHRIBTPEHXVHCO-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide

2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 2971183) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID2971183
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1F)C1CCCO1
InChIInChI=1S/C13H16FNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,15,16)
InChIKeyCHRIBTPEHXVHCO-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 2971183) is 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1F)C1CCCO1.
What is the InChIKey of 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is CHRIBTPEHXVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 237.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 2971183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).