2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H11F3N2O4 — CID 31880526

IUPAC2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11F3N2O4/c1-7-4-8(2-3-9(7)16(18)19)20-5-10(17)15-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyMEEVWSTXXGSIAV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.96
Rot. Bonds5

About 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 31880526) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID31880526
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11F3N2O4/c1-7-4-8(2-3-9(7)16(18)19)20-5-10(17)15-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyMEEVWSTXXGSIAV-UHFFFAOYSA-N
XLogP1.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.96
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

N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648147
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-[5-(hydroxymethyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62116596
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 31880526) is 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(OCC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MEEVWSTXXGSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-7-4-8(2-3-9(7)16(18)19)20-5-10(17)15-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 292.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 31880526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).