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

C15H11F3N2O4 — CID 8538741

IUPAC2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11F3N2O4/c1-8-2-5-12(11(6-8)20(22)23)24-7-13(21)19-10-4-3-9(16)14(17)15(10)18/h2-6H,7H2,1H3,(H,19,21)
InChIKeyNLDUVKJFGPKONQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.34
Rot. Bonds5

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

2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 8538741) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID8538741
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11F3N2O4/c1-8-2-5-12(11(6-8)20(22)23)24-7-13(21)19-10-4-3-9(16)14(17)15(10)18/h2-6H,7H2,1H3,(H,19,21)
InChIKeyNLDUVKJFGPKONQ-UHFFFAOYSA-N
XLogP3.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8562673
5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
CID 17296562
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7809229
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide (CID 8538741) is 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NLDUVKJFGPKONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c1-8-2-5-12(11(6-8)20(22)23)24-7-13(21)19-10-4-3-9(16)14(17)15(10)18/h2-6H,7H2,1H3,(H,19,21).
What are the key properties of 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 340.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 8538741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).