N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C20H20F3NO3 — CID 55550790

IUPACN-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO3/c1-3-18(25)14-8-10-16(11-9-14)27-13-19(26)24(2)12-15-6-4-5-7-17(15)20(21,22)23/h4-11H,3,12-13H2,1-2H3
InChIKeyGJKNXGJRNKKIKV-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.34
Rot. Bonds7

About N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55550790) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55550790
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO3/c1-3-18(25)14-8-10-16(11-9-14)27-13-19(26)24(2)12-15-6-4-5-7-17(15)20(21,22)23/h4-11H,3,12-13H2,1-2H3
InChIKeyGJKNXGJRNKKIKV-UHFFFAOYSA-N
XLogP4.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55416112
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55824024
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8503379
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 55550790) is N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CCC(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GJKNXGJRNKKIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-3-18(25)14-8-10-16(11-9-14)27-13-19(26)24(2)12-15-6-4-5-7-17(15)20(21,22)23/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55550790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).