2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C23H21F3N2O4 — CID 16566350

IUPAC2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C23H21F3N2O4/c24-23(25,26)13-27-22(30)16-6-1-3-7-18(16)28-21(29)12-31-14-9-10-20-17(11-14)15-5-2-4-8-19(15)32-20/h1,3,6-7,9-11H,2,4-5,8,12-13H2,(H,27,30)(H,28,29)
InChIKeyOPVLEDHUPPUJHP-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.62
Rot. Bonds6

About 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 16566350) has the molecular formula C23H21F3N2O4 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID16566350
Molecular FormulaC23H21F3N2O4
Molecular Weight446.43 g/mol
Exact Mass446.15
IUPAC Name2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C23H21F3N2O4/c24-23(25,26)13-27-22(30)16-6-1-3-7-18(16)28-21(29)12-31-14-9-10-20-17(11-14)15-5-2-4-8-19(15)32-20/h1,3,6-7,9-11H,2,4-5,8,12-13H2,(H,27,30)(H,28,29)
InChIKeyOPVLEDHUPPUJHP-UHFFFAOYSA-N
XLogP4.62
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26897725
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 7614463
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8501525
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
CID 34073127
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55801298
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821
N'-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]pyridine-3-carbohydrazide
CID 35015838
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 16566350) is 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OPVLEDHUPPUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4/c24-23(25,26)13-27-22(30)16-6-1-3-7-18(16)28-21(29)12-31-14-9-10-20-17(11-14)15-5-2-4-8-19(15)32-20/h1,3,6-7,9-11H,2,4-5,8,12-13H2,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 446.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 16566350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).