1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one

C15H18ClNO3 — CID 79540089

IUPAC1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-11(18)9-13-3-2-8-17(13)15(19)10-20-14-6-4-12(16)5-7-14/h4-7,13H,2-3,8-10H2,1H3
InChIKeySDPCFIHHGLCBMJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.69
Rot. Bonds5

About 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one

1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 79540089) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one
PubChem CID79540089
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-11(18)9-13-3-2-8-17(13)15(19)10-20-14-6-4-12(16)5-7-14/h4-7,13H,2-3,8-10H2,1H3
InChIKeySDPCFIHHGLCBMJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650438
1-[2-(4-chlorophenoxy)acetyl]pyrrolidine-2-carbaldehyde
CID 82023446
1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 97417120
2-(4-chlorophenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985039
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
2-(4-bromophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66262292
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
CID 61009964
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one (CID 79540089) is 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is SDPCFIHHGLCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-11(18)9-13-3-2-8-17(13)15(19)10-20-14-6-4-12(16)5-7-14/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 295.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79540089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).