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

C12H15F3N2O2 — CID 107231218

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccc(CO)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-16-6-11(19)17-5-9-1-3-10(7-18)4-2-9/h1-4,16,18H,5-8H2,(H,17,19)
InChIKeyJBKDUOJXJYWWQN-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.95
Rot. Bonds6

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

N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 107231218) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID107231218
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccc(CO)cc1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-16-6-11(19)17-5-9-1-3-10(7-18)4-2-9/h1-4,16,18H,5-8H2,(H,17,19)
InChIKeyJBKDUOJXJYWWQN-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765504
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-methyloxalamide
CID 56765496
N1-cyclopentyl-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765498
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765502
2-(4-acetylpiperazin-1-yl)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-oxoacetamide
CID 56765518
N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 56795451

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 107231218) is N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1ccc(CO)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JBKDUOJXJYWWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-16-6-11(19)17-5-9-1-3-10(7-18)4-2-9/h1-4,16,18H,5-8H2,(H,17,19).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 107231218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).