N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide

C10H11F3N2O — CID 43114424

IUPACN-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(9(16)6-10(11,12)13)8-4-2-7(14)3-5-8/h2-5H,6,14H2,1H3
InChIKeyINXSJGYTMDBLLI-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.18
Rot. Bonds2

About N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide

N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 43114424) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID43114424
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(9(16)6-10(11,12)13)8-4-2-7(14)3-5-8/h2-5H,6,14H2,1H3
InChIKeyINXSJGYTMDBLLI-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.18
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

3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
CID 141436970
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 58340177
N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
CID 103309029
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 79383876
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 43376263
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide (CID 43114424) is N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide is CN(C(=O)CC(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is INXSJGYTMDBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(9(16)6-10(11,12)13)8-4-2-7(14)3-5-8/h2-5H,6,14H2,1H3.
What are the key properties of N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 232.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 43114424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).