2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide

C23H18F3NO2 — CID 90575902

IUPAC2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC#CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO2/c24-23(25,26)19-10-6-11-20(16-19)29-14-4-3-13-27-22(28)15-18-9-5-8-17-7-1-2-12-21(17)18/h1-2,5-12,16H,13-15H2,(H,27,28)
InChIKeyDDVBWDAMXPZWHZ-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.60
Rot. Bonds5

About 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide

2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide (PubChem CID 90575902) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
PubChem CID90575902
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC#CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3NO2/c24-23(25,26)19-10-6-11-20(16-19)29-14-4-3-13-27-22(28)15-18-9-5-8-17-7-1-2-12-21(17)18/h1-2,5-12,16H,13-15H2,(H,27,28)
InChIKeyDDVBWDAMXPZWHZ-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-bromophenoxy)but-2-ynyl]-2-naphthalen-1-ylacetamide
CID 90576529
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]propanamide
CID 90575804
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
1-[(4-methoxyphenyl)methyl]-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90575999
4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575873
3,5-bis(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 121131554
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-1H-indole-3-carboxamide
CID 90575932
1-(2-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90576010
1-benzhydryl-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 121131563
N-(3-naphthalen-1-ylpropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758624
1-(3-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90575976
2-phenyl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]triazole-4-carboxamide
CID 90575768

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide (CID 90575902) is 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide is O=C(Cc1cccc2ccccc12)NCC#CCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
The InChIKey is DDVBWDAMXPZWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2/c24-23(25,26)19-10-6-11-20(16-19)29-14-4-3-13-27-22(28)15-18-9-5-8-17-7-1-2-12-21(17)18/h1-2,5-12,16H,13-15H2,(H,27,28).
What are the key properties of 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide has a molecular weight of 397.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide is sourced from PubChem (CID 90575902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).