2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid

C21H23F3N2O7 — CID 15945239

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H21F3N2O3.C2H2O4/c1-24(11-13-8-9-14(26-2)10-17(13)27-3)12-18(25)23-16-7-5-4-6-15(16)19(20,21)22;3-1(4)2(5)6/h4-10H,11-12H2,1-3H3,(H,23,25);(H,3,4)(H,5,6)
InChIKeyBMYXOJGYVPJTMX-UHFFFAOYSA-N
MW472.42 g/mol
LogP2.95
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid (PubChem CID 15945239) has the molecular formula C21H23F3N2O7 and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid
PubChem CID15945239
Molecular FormulaC21H23F3N2O7
Molecular Weight472.42 g/mol
Exact Mass472.15
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H21F3N2O3.C2H2O4/c1-24(11-13-8-9-14(26-2)10-17(13)27-3)12-18(25)23-16-7-5-4-6-15(16)19(20,21)22;3-1(4)2(5)6/h4-10H,11-12H2,1-3H3,(H,23,25);(H,3,4)(H,5,6)
InChIKeyBMYXOJGYVPJTMX-UHFFFAOYSA-N
XLogP2.95
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid 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-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid (CID 15945239) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid is COc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid?
The InChIKey is BMYXOJGYVPJTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3.C2H2O4/c1-24(11-13-8-9-14(26-2)10-17(13)27-3)12-18(25)23-16-7-5-4-6-15(16)19(20,21)22;3-1(4)2(5)6/h4-10H,11-12H2,1-3H3,(H,23,25);(H,3,4)(H,5,6).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid has a molecular weight of 472.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 15945239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).