2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone

C16H16ClNO2 — CID 112779040

IUPAC2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(Cl)c2ccccc12)N1CCCC1
InChIInChI=1S/C16H16ClNO2/c17-14-7-8-15(13-6-2-1-5-12(13)14)20-11-16(19)18-9-3-4-10-18/h1-2,5-8H,3-4,9-11H2
InChIKeyIFMMJWIFWAIIBA-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone

2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone (PubChem CID 112779040) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
PubChem CID112779040
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(Cl)c2ccccc12)N1CCCC1
InChIInChI=1S/C16H16ClNO2/c17-14-7-8-15(13-6-2-1-5-12(13)14)20-11-16(19)18-9-3-4-10-18/h1-2,5-8H,3-4,9-11H2
InChIKeyIFMMJWIFWAIIBA-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 54158634
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732428
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
N-butyl-2-[4-[2-(4-chloronaphthalen-1-yl)oxyacetyl]piperazin-1-ium-1-yl]acetamide
CID 9372370
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 43505486
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732581
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone (CID 112779040) is 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(Cl)c2ccccc12)N1CCCC1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is IFMMJWIFWAIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-7-8-15(13-6-2-1-5-12(13)14)20-11-16(19)18-9-3-4-10-18/h1-2,5-8H,3-4,9-11H2.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone?
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 289.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112779040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).