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

C11H13F3N2O — CID 91720800

IUPACN-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C)c1ccc(N(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-15(2)8-4-6-9(7-5-8)16(3)10(17)11(12,13)14/h4-7H,1-3H3
InChIKeyCWJCBWZZZUEJTC-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.28
Rot. Bonds2

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

N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 91720800) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID91720800
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C)c1ccc(N(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-15(2)8-4-6-9(7-5-8)16(3)10(17)11(12,13)14/h4-7H,1-3H3
InChIKeyCWJCBWZZZUEJTC-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190199
N-[3-cyano-4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91677367
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
3-[[4-(dimethylamino)phenyl]methylidene]-1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 132916497
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide (CID 91720800) is N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide is CN(C)c1ccc(N(C)C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is CWJCBWZZZUEJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-15(2)8-4-6-9(7-5-8)16(3)10(17)11(12,13)14/h4-7H,1-3H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide?
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 246.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 91720800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).