4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C20H17F3N2O4 — CID 46803550

IUPAC4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc2c(CC(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)coc2c1
InChIInChI=1S/C20H17F3N2O4/c1-28-15-6-7-16-13(10-29-17(16)9-15)8-18(26)25-14-4-2-12(3-5-14)19(27)24-11-20(21,22)23/h2-7,9-10H,8,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyLDHZDCGJDPUNCZ-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.91
Rot. Bonds6

About 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 46803550) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID46803550
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc2c(CC(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)coc2c1
InChIInChI=1S/C20H17F3N2O4/c1-28-15-6-7-16-13(10-29-17(16)9-15)8-18(26)25-14-4-2-12(3-5-14)19(27)24-11-20(21,22)23/h2-7,9-10H,8,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyLDHZDCGJDPUNCZ-UHFFFAOYSA-N
XLogP3.91
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010405
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3971736
2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2665602
N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 75457324

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 46803550) is 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc2c(CC(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)coc2c1.
What is the InChIKey of 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LDHZDCGJDPUNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-28-15-6-7-16-13(10-29-17(16)9-15)8-18(26)25-14-4-2-12(3-5-14)19(27)24-11-20(21,22)23/h2-7,9-10H,8,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 406.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 46803550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).