2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide

C18H18FNO2 — CID 71803539

IUPAC2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C18H18FNO2/c19-16-8-4-3-7-15(16)17(21)20-12-18(22)10-9-13-5-1-2-6-14(13)11-18/h1-8,22H,9-12H2,(H,20,21)
InChIKeyGXYFSRQPXSDMCZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.48
Rot. Bonds3

About 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide

2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide (PubChem CID 71803539) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide
PubChem CID71803539
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C18H18FNO2/c19-16-8-4-3-7-15(16)17(21)20-12-18(22)10-9-13-5-1-2-6-14(13)11-18/h1-8,22H,9-12H2,(H,20,21)
InChIKeyGXYFSRQPXSDMCZ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide (CID 71803539) is 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide is O=C(NCC1(O)CCc2ccccc2C1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide?
The InChIKey is GXYFSRQPXSDMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-8-4-3-7-15(16)17(21)20-12-18(22)10-9-13-5-1-2-6-14(13)11-18/h1-8,22H,9-12H2,(H,20,21).
What are the key properties of 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide?
2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide has a molecular weight of 299.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]benzamide is sourced from PubChem (CID 71803539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).