2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H18F3N3O6 — CID 2565839

IUPAC2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18F3N3O6/c1-24(10-17(26)23-14-6-4-3-5-13(14)19(20,21)22)18(27)11-31-16-8-7-12(30-2)9-15(16)25(28)29/h3-9H,10-11H2,1-2H3,(H,23,26)
InChIKeyJEQVBIIODAWZEC-UHFFFAOYSA-N
MW441.36 g/mol
LogP3.10
Rot. Bonds8

About 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2565839) has the molecular formula C19H18F3N3O6 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2565839
Molecular FormulaC19H18F3N3O6
Molecular Weight441.36 g/mol
Exact Mass441.11
IUPAC Name2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18F3N3O6/c1-24(10-17(26)23-14-6-4-3-5-13(14)19(20,21)22)18(27)11-31-16-8-7-12(30-2)9-15(16)25(28)29/h3-9H,10-11H2,1-2H3,(H,23,26)
InChIKeyJEQVBIIODAWZEC-UHFFFAOYSA-N
XLogP3.10
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2565839) is 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JEQVBIIODAWZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O6/c1-24(10-17(26)23-14-6-4-3-5-13(14)19(20,21)22)18(27)11-31-16-8-7-12(30-2)9-15(16)25(28)29/h3-9H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2565839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).