4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide

C15H20FNO2 — CID 122563663

IUPAC4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCCC1CCCOC1
InChIInChI=1S/C15H20FNO2/c1-11-9-13(16)4-5-14(11)15(18)17-7-6-12-3-2-8-19-10-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18)
InChIKeyGNISXFMWNJPKEM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.68
Rot. Bonds4

About 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide

4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide (PubChem CID 122563663) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide
PubChem CID122563663
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCCC1CCCOC1
InChIInChI=1S/C15H20FNO2/c1-11-9-13(16)4-5-14(11)15(18)17-7-6-12-3-2-8-19-10-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18)
InChIKeyGNISXFMWNJPKEM-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide (CID 122563663) is 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide is Cc1cc(F)ccc1C(=O)NCCC1CCCOC1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide?
The InChIKey is GNISXFMWNJPKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-9-13(16)4-5-14(11)15(18)17-7-6-12-3-2-8-19-10-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide?
4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide has a molecular weight of 265.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(oxan-3-yl)ethyl]benzamide is sourced from PubChem (CID 122563663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).