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

C11H13F3N2O2 — CID 113235616

IUPACN-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccc(O)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-15-6-10(18)16-5-8-1-3-9(17)4-2-8/h1-4,15,17H,5-7H2,(H,16,18)
InChIKeySTUBVGWLMVKLME-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.16
Rot. Bonds5

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

N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113235616) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113235616
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCc1ccc(O)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-15-6-10(18)16-5-8-1-3-9(17)4-2-8/h1-4,15,17H,5-7H2,(H,16,18)
InChIKeySTUBVGWLMVKLME-UHFFFAOYSA-N
XLogP1.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106175936
2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103619237
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960749
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942336
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 114331303
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113235616) is N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is STUBVGWLMVKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)7-15-6-10(18)16-5-8-1-3-9(17)4-2-8/h1-4,15,17H,5-7H2,(H,16,18).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113235616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).