3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide

C12H16FNO2 — CID 67060850

IUPAC3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide
SMILESCC(CC(=O)NCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(8-12(16)14-6-7-15)10-2-4-11(13)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyJTRQEOJGBGATRU-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.43
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide

3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide (PubChem CID 67060850) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide
PubChem CID67060850
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide
SMILESCC(CC(=O)NCCO)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-9(8-12(16)14-6-7-15)10-2-4-11(13)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyJTRQEOJGBGATRU-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide (CID 67060850) is 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide is CC(CC(=O)NCCO)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is JTRQEOJGBGATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(8-12(16)14-6-7-15)10-2-4-11(13)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 225.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 67060850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).