2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H13F3N2O3 — CID 54892827

IUPAC2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(C(NCC(F)(F)F)C(N)=O)cc1O
InChIInChI=1S/C11H13F3N2O3/c1-19-8-3-2-6(4-7(8)17)9(10(15)18)16-5-11(12,13)14/h2-4,9,16-17H,5H2,1H3,(H2,15,18)
InChIKeyPCRRMTGTGFNGSQ-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.08
Rot. Bonds5

About 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 54892827) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID54892827
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(C(NCC(F)(F)F)C(N)=O)cc1O
InChIInChI=1S/C11H13F3N2O3/c1-19-8-3-2-6(4-7(8)17)9(10(15)18)16-5-11(12,13)14/h2-4,9,16-17H,5H2,1H3,(H2,15,18)
InChIKeyPCRRMTGTGFNGSQ-UHFFFAOYSA-N
XLogP1.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
2-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60997863
methyl 2-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54893180
methyl 2-(3,4-dibromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 114077400
2-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 116684979
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
5-(2-bromo-2,2-difluoro-1-hydroxyethyl)-2-methoxyphenol
CID 107140464
methyl 2-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66480986
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
methyl 2-(3-bromo-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892475
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 54892827) is 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1ccc(C(NCC(F)(F)F)C(N)=O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PCRRMTGTGFNGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-19-8-3-2-6(4-7(8)17)9(10(15)18)16-5-11(12,13)14/h2-4,9,16-17H,5H2,1H3,(H2,15,18).
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 54892827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).