N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide

C12H15F3N2O — CID 62492005

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-16(2)10-6-4-9(5-7-10)8-17(3)11(18)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyZJYQXMOVKXUHHE-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.27
Rot. Bonds3

About N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide

N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62492005) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62492005
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-16(2)10-6-4-9(5-7-10)8-17(3)11(18)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyZJYQXMOVKXUHHE-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62734863
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190288
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(trifluoromethylsulfonyl)benzamide
CID 35746005
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide (CID 62492005) is N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)F.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is ZJYQXMOVKXUHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-16(2)10-6-4-9(5-7-10)8-17(3)11(18)12(13,14)15/h4-7H,8H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 260.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62492005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).