2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide

C15H19Cl2NO2 — CID 102872110

IUPAC2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide
SMILESO=C(COc1cccc(Cl)c1)N(CCCCl)C1CCC1
InChIInChI=1S/C15H19Cl2NO2/c16-8-3-9-18(13-5-2-6-13)15(19)11-20-14-7-1-4-12(17)10-14/h1,4,7,10,13H,2-3,5-6,8-9,11H2
InChIKeyKNVXWTWITBNVNH-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.73
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide

2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide (PubChem CID 102872110) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide
PubChem CID102872110
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide
SMILESO=C(COc1cccc(Cl)c1)N(CCCCl)C1CCC1
InChIInChI=1S/C15H19Cl2NO2/c16-8-3-9-18(13-5-2-6-13)15(19)11-20-14-7-1-4-12(17)10-14/h1,4,7,10,13H,2-3,5-6,8-9,11H2
InChIKeyKNVXWTWITBNVNH-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
CID 102872589
N-(3-aminopropyl)-N-cyclohexyl-2-phenoxyacetamide
CID 43319389
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179247
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986
2-(4-bromophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866038
1-(3-chlorophenoxy)-4-cyclopropylbutan-2-one
CID 105107899
2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7818841
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide (CID 102872110) is 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide is O=C(COc1cccc(Cl)c1)N(CCCCl)C1CCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide?
The InChIKey is KNVXWTWITBNVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-8-3-9-18(13-5-2-6-13)15(19)11-20-14-7-1-4-12(17)10-14/h1,4,7,10,13H,2-3,5-6,8-9,11H2.
What are the key properties of 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide?
2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide has a molecular weight of 316.23 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3-chloropropyl)-N-cyclobutylacetamide is sourced from PubChem (CID 102872110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).