2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone

C16H16ClN3O3 — CID 90638277

IUPAC2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C16H16ClN3O3/c17-12-3-5-13(6-4-12)22-11-16(21)20-9-7-14(10-20)23-15-2-1-8-18-19-15/h1-6,8,14H,7,9-11H2
InChIKeyXHTWVQPZDKXRLX-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone

2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone (PubChem CID 90638277) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
PubChem CID90638277
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C16H16ClN3O3/c17-12-3-5-13(6-4-12)22-11-16(21)20-9-7-14(10-20)23-15-2-1-8-18-19-15/h1-6,8,14H,7,9-11H2
InChIKeyXHTWVQPZDKXRLX-UHFFFAOYSA-N
XLogP2.19
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
CID 136515317
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone (CID 90638277) is 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is XHTWVQPZDKXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-12-3-5-13(6-4-12)22-11-16(21)20-9-7-14(10-20)23-15-2-1-8-18-19-15/h1-6,8,14H,7,9-11H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 333.78 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90638277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).