4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide

C18H20FNO2 — CID 52992677

IUPAC4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-18(22,12-11-14-5-3-2-4-6-14)13-20-17(21)15-7-9-16(19)10-8-15/h2-10,22H,11-13H2,1H3,(H,20,21)
InChIKeyGGBJZKMCPIJTBU-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.94
Rot. Bonds6

About 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide

4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide (PubChem CID 52992677) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
PubChem CID52992677
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-18(22,12-11-14-5-3-2-4-6-14)13-20-17(21)15-7-9-16(19)10-8-15/h2-10,22H,11-13H2,1H3,(H,20,21)
InChIKeyGGBJZKMCPIJTBU-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide (CID 52992677) is 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide is CC(O)(CCc1ccccc1)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The InChIKey is GGBJZKMCPIJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(22,12-11-14-5-3-2-4-6-14)13-20-17(21)15-7-9-16(19)10-8-15/h2-10,22H,11-13H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide has a molecular weight of 301.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide is sourced from PubChem (CID 52992677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).