2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C17H14F3N3O5 — CID 8562673

IUPAC2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14F3N3O5/c1-9-2-5-13(12(6-9)23(26)27)28-8-15(25)21-7-14(24)22-11-4-3-10(18)16(19)17(11)20/h2-6H,7-8H2,1H3,(H,21,25)(H,22,24)
InChIKeyKAGHZIWLOLLOIY-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.45
Rot. Bonds7

About 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 8562673) has the molecular formula C17H14F3N3O5 and a molecular weight of 397.31 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID8562673
Molecular FormulaC17H14F3N3O5
Molecular Weight397.31 g/mol
Exact Mass397.09
IUPAC Name2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14F3N3O5/c1-9-2-5-13(12(6-9)23(26)27)28-8-15(25)21-7-14(24)22-11-4-3-10(18)16(19)17(11)20/h2-6H,7-8H2,1H3,(H,21,25)(H,22,24)
InChIKeyKAGHZIWLOLLOIY-UHFFFAOYSA-N
XLogP2.45
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7809229
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
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
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744
4-ethoxy-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 46554944
2-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 7677590
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 51146120
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7601440

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 8562673) is 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KAGHZIWLOLLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5/c1-9-2-5-13(12(6-9)23(26)27)28-8-15(25)21-7-14(24)22-11-4-3-10(18)16(19)17(11)20/h2-6H,7-8H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 397.31 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 8562673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).