N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide

C20H21F3N4O4 — CID 31390122

IUPACN-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N4O4/c1-13(28)24-14-3-5-15(6-4-14)25-18(29)11-27(2)12-19(30)26-16-7-9-17(10-8-16)31-20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyUHSRPJKCTIOPQU-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.05
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide

N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide (PubChem CID 31390122) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
PubChem CID31390122
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC NameN-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N4O4/c1-13(28)24-14-3-5-15(6-4-14)25-18(29)11-27(2)12-19(30)26-16-7-9-17(10-8-16)31-20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyUHSRPJKCTIOPQU-UHFFFAOYSA-N
XLogP3.05
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366154
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8710734
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
3-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]propane-1-sulfonic acid
CID 8642094
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641907
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641948
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide (CID 31390122) is N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide?
The InChIKey is UHSRPJKCTIOPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-13(28)24-14-3-5-15(6-4-14)25-18(29)11-27(2)12-19(30)26-16-7-9-17(10-8-16)31-20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide has a molecular weight of 438.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide is sourced from PubChem (CID 31390122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).