2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

C20H19Cl2NO4 — CID 7516874

IUPAC2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C20H19Cl2NO4/c21-13-4-6-16(15(22)10-13)25-12-19(24)23-14-5-7-17-18(11-14)27-20(26-17)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,23,24)
InChIKeyJNINGZZNXBHMRB-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.44
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (PubChem CID 7516874) has the molecular formula C20H19Cl2NO4 and a molecular weight of 408.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
PubChem CID7516874
Molecular FormulaC20H19Cl2NO4
Molecular Weight408.28 g/mol
Exact Mass407.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C20H19Cl2NO4/c21-13-4-6-16(15(22)10-13)25-12-19(24)23-14-5-7-17-18(11-14)27-20(26-17)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,23,24)
InChIKeyJNINGZZNXBHMRB-UHFFFAOYSA-N
XLogP5.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 8977367
2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 55453591
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
2-(3,4-dimethylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 26173911
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-chloropyridine-4-carboxylate
CID 33240471
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7522603
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16558786
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (CID 7516874) is 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The InChIKey is JNINGZZNXBHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO4/c21-13-4-6-16(15(22)10-13)25-12-19(24)23-14-5-7-17-18(11-14)27-20(26-17)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide has a molecular weight of 408.28 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is sourced from PubChem (CID 7516874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).