2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide

C20H18FNO2 — CID 71787915

IUPAC2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1ccccc1F
InChIInChI=1S/C20H18FNO2/c21-18-11-4-3-9-17(18)20(24)22-13-12-19(23)16-10-5-7-14-6-1-2-8-15(14)16/h1-11,19,23H,12-13H2,(H,22,24)
InChIKeyKGFMXMDGOSJBDG-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.83
Rot. Bonds5

About 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide

2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide (PubChem CID 71787915) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide
PubChem CID71787915
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1ccccc1F
InChIInChI=1S/C20H18FNO2/c21-18-11-4-3-9-17(18)20(24)22-13-12-19(23)16-10-5-7-14-6-1-2-8-15(14)16/h1-11,19,23H,12-13H2,(H,22,24)
InChIKeyKGFMXMDGOSJBDG-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide (CID 71787915) is 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide is O=C(NCCC(O)c1cccc2ccccc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
The InChIKey is KGFMXMDGOSJBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-18-11-4-3-9-17(18)20(24)22-13-12-19(23)16-10-5-7-14-6-1-2-8-15(14)16/h1-11,19,23H,12-13H2,(H,22,24).
What are the key properties of 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide is sourced from PubChem (CID 71787915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).