2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride

C25H26ClF3N2O2 — CID 68933496

IUPAC2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccccc2OC(F)(F)F)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C25H25F3N2O2.ClH/c1-17-12-13-21(16-18(17)2)30(24(31)23(29)20-9-4-3-5-10-20)15-14-19-8-6-7-11-22(19)32-25(26,27)28;/h3-13,16,23H,14-15,29H2,1-2H3;1H
InChIKeyASCBFRCAFKIFJK-UHFFFAOYSA-N
MW478.94 g/mol
LogP5.90
Rot. Bonds7

About 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride

2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 68933496) has the molecular formula C25H26ClF3N2O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
PubChem CID68933496
Molecular FormulaC25H26ClF3N2O2
Molecular Weight478.94 g/mol
Exact Mass478.16
IUPAC Name2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccccc2OC(F)(F)F)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C25H25F3N2O2.ClH/c1-17-12-13-21(16-18(17)2)30(24(31)23(29)20-9-4-3-5-10-20)15-14-19-8-6-7-11-22(19)32-25(26,27)28;/h3-13,16,23H,14-15,29H2,1-2H3;1H
InChIKeyASCBFRCAFKIFJK-UHFFFAOYSA-N
XLogP5.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride 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-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride (CID 68933496) is 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride is Cc1ccc(N(CCc2ccccc2OC(F)(F)F)C(=O)C(N)c2ccccc2)cc1C.Cl.
What is the InChIKey of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is ASCBFRCAFKIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2.ClH/c1-17-12-13-21(16-18(17)2)30(24(31)23(29)20-9-4-3-5-10-20)15-14-19-8-6-7-11-22(19)32-25(26,27)28;/h3-13,16,23H,14-15,29H2,1-2H3;1H.
What are the key properties of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 478.94 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 68933496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).