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

C19H16F3NO2 — CID 90550577

IUPAC2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESCc1ccccc1OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c1-14-6-2-3-10-17(14)25-13-18(24)23-11-5-8-15-7-4-9-16(12-15)19(20,21)22/h2-4,6-7,9-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyJJYNJKPWVTYCKH-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.56
Rot. Bonds4

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

2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (PubChem CID 90550577) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
PubChem CID90550577
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
SMILESCc1ccccc1OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c1-14-6-2-3-10-17(14)25-13-18(24)23-11-5-8-15-7-4-9-16(12-15)19(20,21)22/h2-4,6-7,9-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyJJYNJKPWVTYCKH-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide (CID 90550577) is 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is Cc1ccccc1OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
The InChIKey is JJYNJKPWVTYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-14-6-2-3-10-17(14)25-13-18(24)23-11-5-8-15-7-4-9-16(12-15)19(20,21)22/h2-4,6-7,9-10,12H,11,13H2,1H3,(H,23,24).
What are the key properties of 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide?
2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 90550577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).