N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide

C19H20F3N3O5 — CID 42070606

IUPACN-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H20F3N3O5/c1-3-8-30-16-7-4-12(19(20,21)22)9-15(16)23-11-18(26)24-14-6-5-13(25(27)28)10-17(14)29-2/h4-7,9-10,23H,3,8,11H2,1-2H3,(H,24,26)
InChIKeyAMHSLYQVSFGWAL-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.46
Rot. Bonds9

About N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide (PubChem CID 42070606) has the molecular formula C19H20F3N3O5 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
PubChem CID42070606
Molecular FormulaC19H20F3N3O5
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H20F3N3O5/c1-3-8-30-16-7-4-12(19(20,21)22)9-15(16)23-11-18(26)24-14-6-5-13(25(27)28)10-17(14)29-2/h4-7,9-10,23H,3,8,11H2,1-2H3,(H,24,26)
InChIKeyAMHSLYQVSFGWAL-UHFFFAOYSA-N
XLogP4.46
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
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 N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]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 N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide (CID 42070606) is N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide is CCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is AMHSLYQVSFGWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5/c1-3-8-30-16-7-4-12(19(20,21)22)9-15(16)23-11-18(26)24-14-6-5-13(25(27)28)10-17(14)29-2/h4-7,9-10,23H,3,8,11H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 427.38 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 42070606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).