2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

C22H16F3NO2 — CID 90550790

IUPAC2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC#Cc1ccccc1C(F)(F)F
InChIInChI=1S/C22H16F3NO2/c23-22(24,25)20-10-4-3-7-17(20)9-5-13-26-21(27)15-28-19-12-11-16-6-1-2-8-18(16)14-19/h1-4,6-8,10-12,14H,13,15H2,(H,26,27)
InChIKeyFKQMKJAWGQXDDW-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.41
Rot. Bonds4

About 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide

2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (PubChem CID 90550790) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
PubChem CID90550790
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCC#Cc1ccccc1C(F)(F)F
InChIInChI=1S/C22H16F3NO2/c23-22(24,25)20-10-4-3-7-17(20)9-5-13-26-21(27)15-28-19-12-11-16-6-1-2-8-18(16)14-19/h1-4,6-8,10-12,14H,13,15H2,(H,26,27)
InChIKeyFKQMKJAWGQXDDW-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
1-[(4-methoxyphenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553839
2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 90550744
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
CID 90599167
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90498004
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
4-chloro-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 90550757

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (CID 90550790) is 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is O=C(COc1ccc2ccccc2c1)NCC#Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The InChIKey is FKQMKJAWGQXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c23-22(24,25)20-10-4-3-7-17(20)9-5-13-26-21(27)15-28-19-12-11-16-6-1-2-8-18(16)14-19/h1-4,6-8,10-12,14H,13,15H2,(H,26,27).
What are the key properties of 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 90550790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).