N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide

C22H22FNO3 — CID 90599167

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
SMILESCOC(C)(CNC(=O)COc1ccc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C22H22FNO3/c1-22(26-2,19-9-5-6-10-20(19)23)15-24-21(25)14-27-18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyJKMMMZJTQMSCPL-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.04
Rot. Bonds7

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 90599167) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
PubChem CID90599167
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
SMILESCOC(C)(CNC(=O)COc1ccc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C22H22FNO3/c1-22(26-2,19-9-5-6-10-20(19)23)15-24-21(25)14-27-18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyJKMMMZJTQMSCPL-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide (CID 90599167) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide is COC(C)(CNC(=O)COc1ccc2ccccc2c1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is JKMMMZJTQMSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-22(26-2,19-9-5-6-10-20(19)23)15-24-21(25)14-27-18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 367.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 90599167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).