N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O2 — CID 78960749

IUPACN-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-17(7-9-2-4-10(18)5-3-9)11(19)6-16-8-12(13,14)15/h2-5,16,18H,6-8H2,1H3
InChIKeyVAIKIMVODZFKFQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.50
Rot. Bonds5

About N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78960749) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78960749
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-17(7-9-2-4-10(18)5-3-9)11(19)6-16-8-12(13,14)15/h2-5,16,18H,6-8H2,1H3
InChIKeyVAIKIMVODZFKFQ-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 54893745
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906
N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958541
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235616
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260660
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601
N-[(4-hydroxyphenyl)methyl]-N,3,4,4-tetramethylpentanamide
CID 63821456

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78960749) is N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1ccc(O)cc1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VAIKIMVODZFKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-17(7-9-2-4-10(18)5-3-9)11(19)6-16-8-12(13,14)15/h2-5,16,18H,6-8H2,1H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78960749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).