N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H20F3NO2 — CID 100758624

IUPACN-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCCCc1cccc2ccccc12
InChIInChI=1S/C22H20F3NO2/c23-22(24,25)18-10-4-11-19(14-18)28-15-21(27)26-13-5-9-17-8-3-7-16-6-1-2-12-20(16)17/h1-4,6-8,10-12,14H,5,9,13,15H2,(H,26,27)
InChIKeyAILSAVXZYQWNQL-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.99
Rot. Bonds7

About N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758624) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758624
Molecular FormulaC22H20F3NO2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC NameN-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCCCc1cccc2ccccc12
InChIInChI=1S/C22H20F3NO2/c23-22(24,25)18-10-4-11-19(14-18)28-15-21(27)26-13-5-9-17-8-3-7-16-6-1-2-12-20(16)17/h1-4,6-8,10-12,14H,5,9,13,15H2,(H,26,27)
InChIKeyAILSAVXZYQWNQL-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757900
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758512
2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575902
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 78810551
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758624) is N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NCCCc1cccc2ccccc12.
What is the InChIKey of N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is AILSAVXZYQWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c23-22(24,25)18-10-4-11-19(14-18)28-15-21(27)26-13-5-9-17-8-3-7-16-6-1-2-12-20(16)17/h1-4,6-8,10-12,14H,5,9,13,15H2,(H,26,27).
What are the key properties of N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 387.40 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).