2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

C21H20FNO3 — CID 9482694

IUPAC2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)COc3cccc(F)c3)ccc2c1
InChIInChI=1S/C21H20FNO3/c1-23(21(24)14-26-20-5-3-4-18(22)12-20)13-15-6-7-17-11-19(25-2)9-8-16(17)10-15/h3-12H,13-14H2,1-2H3
InChIKeyUAJKTBAZJAUUPL-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (PubChem CID 9482694) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
PubChem CID9482694
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
SMILESCOc1ccc2cc(CN(C)C(=O)COc3cccc(F)c3)ccc2c1
InChIInChI=1S/C21H20FNO3/c1-23(21(24)14-26-20-5-3-4-18(22)12-20)13-15-6-7-17-11-19(25-2)9-8-16(17)10-15/h3-12H,13-14H2,1-2H3
InChIKeyUAJKTBAZJAUUPL-UHFFFAOYSA-N
XLogP4.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (CID 9482694) is 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is COc1ccc2cc(CN(C)C(=O)COc3cccc(F)c3)ccc2c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
The InChIKey is UAJKTBAZJAUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-23(21(24)14-26-20-5-3-4-18(22)12-20)13-15-6-7-17-11-19(25-2)9-8-16(17)10-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide has a molecular weight of 353.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 9482694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).