2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C20H18ClF3N2O4 — CID 26620158

IUPAC2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18ClF3N2O4/c1-12(27)13-3-6-15(7-4-13)30-11-19(29)26(2)10-18(28)25-14-5-8-17(21)16(9-14)20(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,28)
InChIKeyLFXFOIBJLDFBOL-UHFFFAOYSA-N
MW442.82 g/mol
LogP4.04
Rot. Bonds7

About 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 26620158) has the molecular formula C20H18ClF3N2O4 and a molecular weight of 442.82 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID26620158
Molecular FormulaC20H18ClF3N2O4
Molecular Weight442.82 g/mol
Exact Mass442.09
IUPAC Name2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18ClF3N2O4/c1-12(27)13-3-6-15(7-4-13)30-11-19(29)26(2)10-18(28)25-14-5-8-17(21)16(9-14)20(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,28)
InChIKeyLFXFOIBJLDFBOL-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-(3,4-dimethylphenoxy)acetyl]-methylamino]acetamide
CID 18280045
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9417469
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55605846
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 55413073
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-[2-(dimethylamino)-2-oxoethoxy]-N-methylbenzamide
CID 33086234
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55499810
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128483
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 55347418
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclohexyl-N-methylpropanamide
CID 18229226
2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2545792
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 26620158) is 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LFXFOIBJLDFBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O4/c1-12(27)13-3-6-15(7-4-13)30-11-19(29)26(2)10-18(28)25-14-5-8-17(21)16(9-14)20(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,28).
What are the key properties of 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 442.82 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26620158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).