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

C11H13F3N2O — CID 62489903

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESCN(C)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-16(2)9-5-3-8(4-6-9)7-15-10(17)11(12,13)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyBOMPEMYMESNBGK-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.93
Rot. Bonds3

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

N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 62489903) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID62489903
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESCN(C)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-16(2)9-5-3-8(4-6-9)7-15-10(17)11(12,13)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyBOMPEMYMESNBGK-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethylbutanamide
CID 115432359
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
1-[[4-(dimethylamino)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38949105
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
tert-butyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoate
CID 129218173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide (CID 62489903) is N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide is CN(C)c1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is BOMPEMYMESNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16(2)9-5-3-8(4-6-9)7-15-10(17)11(12,13)14/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 246.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 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-trifluoroacetamide is sourced from PubChem (CID 62489903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).