2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O — CID 60892498

IUPAC2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H13F3N2O/c1-16(7-11(12,13)14)10(17)6-8-2-4-9(15)5-3-8/h2-5H,6-7,15H2,1H3
InChIKeyFGSRUGFWWBXHKK-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60892498) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60892498
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H13F3N2O/c1-16(7-11(12,13)14)10(17)6-8-2-4-9(15)5-3-8/h2-5H,6-7,15H2,1H3
InChIKeyFGSRUGFWWBXHKK-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 60946474
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60892498) is 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FGSRUGFWWBXHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16(7-11(12,13)14)10(17)6-8-2-4-9(15)5-3-8/h2-5H,6-7,15H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60892498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).