2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

C15H10F4N2O4 — CID 7846247

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F4N2O4/c16-9-5-6-12(21(23)24)13(7-9)25-8-14(22)20-11-4-2-1-3-10(11)15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyXHLHEYNTPRCIHD-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.77
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 7846247) has the molecular formula C15H10F4N2O4 and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID7846247
Molecular FormulaC15H10F4N2O4
Molecular Weight358.25 g/mol
Exact Mass358.06
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F4N2O4/c16-9-5-6-12(21(23)24)13(7-9)25-8-14(22)20-11-4-2-1-3-10(11)15(17,18)19/h1-7H,8H2,(H,20,22)
InChIKeyXHLHEYNTPRCIHD-UHFFFAOYSA-N
XLogP3.77
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-[4-iodo-2-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2954028
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 2563637
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
2-(5-fluoro-2-nitrophenoxy)-N-quinolin-5-ylacetamide
CID 43039311
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 7846247) is 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XHLHEYNTPRCIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O4/c16-9-5-6-12(21(23)24)13(7-9)25-8-14(22)20-11-4-2-1-3-10(11)15(17,18)19/h1-7H,8H2,(H,20,22).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 358.25 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7846247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).