3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide

C22H23FN2O2 — CID 55500464

IUPAC3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide
SMILESCN(CCOc1ccccc1F)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H23FN2O2/c1-25(15-16-27-21-12-5-4-10-19(21)23)14-13-22(26)24-20-11-6-8-17-7-2-3-9-18(17)20/h2-12H,13-16H2,1H3,(H,24,26)
InChIKeyCBQZEHRYSKHSHZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.32
Rot. Bonds8

About 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide

3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide (PubChem CID 55500464) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide
PubChem CID55500464
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide
SMILESCN(CCOc1ccccc1F)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H23FN2O2/c1-25(15-16-27-21-12-5-4-10-19(21)23)14-13-22(26)24-20-11-6-8-17-7-2-3-9-18(17)20/h2-12H,13-16H2,1H3,(H,24,26)
InChIKeyCBQZEHRYSKHSHZ-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide (CID 55500464) is 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide is CN(CCOc1ccccc1F)CCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide?
The InChIKey is CBQZEHRYSKHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-25(15-16-27-21-12-5-4-10-19(21)23)14-13-22(26)24-20-11-6-8-17-7-2-3-9-18(17)20/h2-12H,13-16H2,1H3,(H,24,26).
What are the key properties of 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide?
3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide has a molecular weight of 366.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethyl-methylamino]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 55500464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).