2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone

C17H17ClN2O2 — CID 86917626

IUPAC2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC1c1ccncc1
InChIInChI=1S/C17H17ClN2O2/c18-14-4-1-2-6-16(14)22-12-17(21)20-11-3-5-15(20)13-7-9-19-10-8-13/h1-2,4,6-10,15H,3,5,11-12H2
InChIKeyBEDMPDPKEGVOOF-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone

2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone (PubChem CID 86917626) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
PubChem CID86917626
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC1c1ccncc1
InChIInChI=1S/C17H17ClN2O2/c18-14-4-1-2-6-16(14)22-12-17(21)20-11-3-5-15(20)13-7-9-19-10-8-13/h1-2,4,6-10,15H,3,5,11-12H2
InChIKeyBEDMPDPKEGVOOF-UHFFFAOYSA-N
XLogP3.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
2-(2,4-dimethylphenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86920438
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
4-(2-bromophenoxy)-1-(2-pyridin-4-ylazepan-1-yl)butan-1-one
CID 55764594
2-(2,4-dichlorophenoxy)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 97127081
2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 94611215
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 55371401
1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152
1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141217853
2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 42942672
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
2-(2,4-dichlorophenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42907672

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone (CID 86917626) is 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone is O=C(COc1ccccc1Cl)N1CCCC1c1ccncc1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The InChIKey is BEDMPDPKEGVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-4-1-2-6-16(14)22-12-17(21)20-11-3-5-15(20)13-7-9-19-10-8-13/h1-2,4,6-10,15H,3,5,11-12H2.
What are the key properties of 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone has a molecular weight of 316.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 86917626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).