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

C19H16F3NO3 — CID 90575880

IUPAC2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
SMILESO=C(COc1ccccc1)NCC#CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)15-7-6-10-17(13-15)25-12-5-4-11-23-18(24)14-26-16-8-2-1-3-9-16/h1-3,6-10,13H,11-12,14H2,(H,23,24)
InChIKeyRPDBBUZOQCBWSA-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.28
Rot. Bonds6

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

2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide (PubChem CID 90575880) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
PubChem CID90575880
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
SMILESO=C(COc1ccccc1)NCC#CCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)15-7-6-10-17(13-15)25-12-5-4-11-23-18(24)14-26-16-8-2-1-3-9-16/h1-3,6-10,13H,11-12,14H2,(H,23,24)
InChIKeyRPDBBUZOQCBWSA-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]propanamide
CID 90575804
2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575902
4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 90575873
1-benzhydryl-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 121131563
3,5-bis(trifluoromethyl)-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]benzamide
CID 121131554
1-(2-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90576010
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
1-[(4-methoxyphenyl)methyl]-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90575999
1-(3-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]urea
CID 90575976
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide (CID 90575880) is 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide is O=C(COc1ccccc1)NCC#CCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
The InChIKey is RPDBBUZOQCBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)15-7-6-10-17(13-15)25-12-5-4-11-23-18(24)14-26-16-8-2-1-3-9-16/h1-3,6-10,13H,11-12,14H2,(H,23,24).
What are the key properties of 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide?
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide is sourced from PubChem (CID 90575880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).