2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide

C17H13F2NO2 — CID 90547905

IUPAC2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC#Cc1ccccc1F
InChIInChI=1S/C17H13F2NO2/c18-14-7-9-15(10-8-14)22-12-17(21)20-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,11-12H2,(H,20,21)
InChIKeyZOCFEOYVFGIEOE-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide

2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide (PubChem CID 90547905) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
PubChem CID90547905
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Name2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC#Cc1ccccc1F
InChIInChI=1S/C17H13F2NO2/c18-14-7-9-15(10-8-14)22-12-17(21)20-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,11-12H2,(H,20,21)
InChIKeyZOCFEOYVFGIEOE-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.51
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-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
CID 90547946
4-ethoxy-N-[3-(2-fluorophenyl)prop-2-ynyl]benzamide
CID 90547842
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
1-[(4-fluorophenyl)methyl]-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552596
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
CID 90552168
N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
CID 90550364
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
2-naphthalen-2-yloxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550790
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
CID 90552571
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide (CID 90547905) is 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide is O=C(COc1ccc(F)cc1)NCC#Cc1ccccc1F.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide?
The InChIKey is ZOCFEOYVFGIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c18-14-7-9-15(10-8-14)22-12-17(21)20-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,11-12H2,(H,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide?
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide has a molecular weight of 301.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 90547905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).