N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C20H17F3N2O4 — CID 24817895

IUPACN-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C20H17F3N2O4/c1-25(11-17(26)24-15-9-5-4-8-14(15)20(21,22)23)18(27)10-16-12-6-2-3-7-13(12)19(28)29-16/h2-9,16H,10-11H2,1H3,(H,24,26)
InChIKeyJUMRDURYLMFRLX-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 24817895) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID24817895
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC NameN-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C20H17F3N2O4/c1-25(11-17(26)24-15-9-5-4-8-14(15)20(21,22)23)18(27)10-16-12-6-2-3-7-13(12)19(28)29-16/h2-9,16H,10-11H2,1H3,(H,24,26)
InChIKeyJUMRDURYLMFRLX-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 16741594
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
2-[[2-(benzenesulfonyl)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112779762
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 24817895) is N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC1OC(=O)c2ccccc21.
What is the InChIKey of N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is JUMRDURYLMFRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-25(11-17(26)24-15-9-5-4-8-14(15)20(21,22)23)18(27)10-16-12-6-2-3-7-13(12)19(28)29-16/h2-9,16H,10-11H2,1H3,(H,24,26).
What are the key properties of N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 406.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 24817895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).