2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone

C16H15Cl2NO2 — CID 38113540

IUPAC2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1c(Cl)cc(Cl)c2ccccc12)N1CCCC1
InChIInChI=1S/C16H15Cl2NO2/c17-13-9-14(18)16(12-6-2-1-5-11(12)13)21-10-15(20)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyXFNCWJOYQJLKTP-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.15
Rot. Bonds3

About 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone

2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone (PubChem CID 38113540) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
PubChem CID38113540
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1c(Cl)cc(Cl)c2ccccc12)N1CCCC1
InChIInChI=1S/C16H15Cl2NO2/c17-13-9-14(18)16(12-6-2-1-5-11(12)13)21-10-15(20)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyXFNCWJOYQJLKTP-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82918055
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-(2-bromo-4,6-dichlorophenoxy)-1-[4-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 17096623
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064552
2-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43276523
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone (CID 38113540) is 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone is O=C(COc1c(Cl)cc(Cl)c2ccccc12)N1CCCC1.
What is the InChIKey of 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is XFNCWJOYQJLKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-13-9-14(18)16(12-6-2-1-5-11(12)13)21-10-15(20)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8,10H2.
What are the key properties of 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 324.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 38113540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).