2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone

C20H19ClN2O2 — CID 113087756

IUPAC2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H19ClN2O2/c21-15-5-7-16(8-6-15)25-13-20(24)23-10-9-14(12-23)18-11-22-19-4-2-1-3-17(18)19/h1-8,11,14,22H,9-10,12-13H2
InChIKeyTXYQAIXIPBDFKA-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.22
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 113087756) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID113087756
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H19ClN2O2/c21-15-5-7-16(8-6-15)25-13-20(24)23-10-9-14(12-23)18-11-22-19-4-2-1-3-17(18)19/h1-8,11,14,22H,9-10,12-13H2
InChIKeyTXYQAIXIPBDFKA-UHFFFAOYSA-N
XLogP4.22
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 55910561
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
CID 110643500
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
3-(3,4-dimethoxyphenyl)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 113087764
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone (CID 113087756) is 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is TXYQAIXIPBDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-15-5-7-16(8-6-15)25-13-20(24)23-10-9-14(12-23)18-11-22-19-4-2-1-3-17(18)19/h1-8,11,14,22H,9-10,12-13H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 354.84 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 113087756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).