2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide

C18H18F3NO4 — CID 2752101

IUPAC2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESCOc1cc(CCN(Cc2cccc(O)c2)C(=O)C(F)(F)F)ccc1O
InChIInChI=1S/C18H18F3NO4/c1-26-16-10-12(5-6-15(16)24)7-8-22(17(25)18(19,20)21)11-13-3-2-4-14(23)9-13/h2-6,9-10,23-24H,7-8,11H2,1H3
InChIKeySXQCOJCSRJOLFU-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.24
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide

2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 2752101) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID2752101
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESCOc1cc(CCN(Cc2cccc(O)c2)C(=O)C(F)(F)F)ccc1O
InChIInChI=1S/C18H18F3NO4/c1-26-16-10-12(5-6-15(16)24)7-8-22(17(25)18(19,20)21)11-13-3-2-4-14(23)9-13/h2-6,9-10,23-24H,7-8,11H2,1H3
InChIKeySXQCOJCSRJOLFU-UHFFFAOYSA-N
XLogP3.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide (CID 2752101) is 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide is COc1cc(CCN(Cc2cccc(O)c2)C(=O)C(F)(F)F)ccc1O.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is SXQCOJCSRJOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-26-16-10-12(5-6-15(16)24)7-8-22(17(25)18(19,20)21)11-13-3-2-4-14(23)9-13/h2-6,9-10,23-24H,7-8,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide?
2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 2752101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).