2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

C20H19F2NO4 — CID 55383002

IUPAC2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H19F2NO4/c21-19(22)25-15-6-3-13(4-7-15)11-18(24)23-14-5-8-16-17(12-14)27-20(26-16)9-1-2-10-20/h3-8,12,19H,1-2,9-11H2,(H,23,24)
InChIKeyORAKILBXXXKZBN-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.51
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (PubChem CID 55383002) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
PubChem CID55383002
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H19F2NO4/c21-19(22)25-15-6-3-13(4-7-15)11-18(24)23-14-5-8-16-17(12-14)27-20(26-16)9-1-2-10-20/h3-8,12,19H,1-2,9-11H2,(H,23,24)
InChIKeyORAKILBXXXKZBN-UHFFFAOYSA-N
XLogP4.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912
2-(3-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 42280231
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-(5-hydroxy-2-pyridinyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 167919075
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-(4-fluorophenoxy)acetate
CID 9458342
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 33236991
2-[4-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110879156
2-[4-(difluoromethoxy)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 35621741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (CID 55383002) is 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The InChIKey is ORAKILBXXXKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c21-19(22)25-15-6-3-13(4-7-15)11-18(24)23-14-5-8-16-17(12-14)27-20(26-16)9-1-2-10-20/h3-8,12,19H,1-2,9-11H2,(H,23,24).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide has a molecular weight of 375.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is sourced from PubChem (CID 55383002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).