2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H19F3N2O4 — CID 8503379

IUPAC2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4/c1-24(18(26)12-28-14-9-7-13(27-2)8-10-14)11-17(25)23-16-6-4-3-5-15(16)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyYOIMRPDFSRQVOK-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.19
Rot. Bonds7

About 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 8503379) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID8503379
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O4/c1-24(18(26)12-28-14-9-7-13(27-2)8-10-14)11-17(25)23-16-6-4-3-5-15(16)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25)
InChIKeyYOIMRPDFSRQVOK-UHFFFAOYSA-N
XLogP3.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 8503379) is 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YOIMRPDFSRQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-24(18(26)12-28-14-9-7-13(27-2)8-10-14)11-17(25)23-16-6-4-3-5-15(16)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8503379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).