2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C20H18ClNO5 — CID 39087137

IUPAC2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESC[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc(Cl)c21
InChIInChI=1S/C20H18ClNO5/c1-11-8-14(23)20-16(5-3-13(21)19(11)20)27-10-18(24)22-12-2-4-15-17(9-12)26-7-6-25-15/h2-5,9,11H,6-8,10H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyBFIGMGYIHVZURA-LLVKDONJSA-N
MW387.82 g/mol
LogP3.82
Rot. Bonds4

About 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 39087137) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID39087137
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESC[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc(Cl)c21
InChIInChI=1S/C20H18ClNO5/c1-11-8-14(23)20-16(5-3-13(21)19(11)20)27-10-18(24)22-12-2-4-15-17(9-12)26-7-6-25-15/h2-5,9,11H,6-8,10H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyBFIGMGYIHVZURA-LLVKDONJSA-N
XLogP3.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 46405285
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 42927570
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
2-[[(1S)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 39078730
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 18206805
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 39087137) is 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc(Cl)c21.
What is the InChIKey of 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is BFIGMGYIHVZURA-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-11-8-14(23)20-16(5-3-13(21)19(11)20)27-10-18(24)22-12-2-4-15-17(9-12)26-7-6-25-15/h2-5,9,11H,6-8,10H2,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 387.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 39087137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).