2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide

C15H21ClN2O2 — CID 63301188

IUPAC2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)COc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C15H21ClN2O2/c1-2-9-18(13-7-8-17-10-13)15(19)11-20-14-5-3-12(16)4-6-14/h3-6,13,17H,2,7-11H2,1H3
InChIKeyWCYGOLUTAKYSJN-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 63301188) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID63301188
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)COc1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C15H21ClN2O2/c1-2-9-18(13-7-8-17-10-13)15(19)11-20-14-5-3-12(16)4-6-14/h3-6,13,17H,2,7-11H2,1H3
InChIKeyWCYGOLUTAKYSJN-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532088
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide
CID 82177122

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 63301188) is 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)COc1ccc(Cl)cc1)C1CCNC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is WCYGOLUTAKYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-9-18(13-7-8-17-10-13)15(19)11-20-14-5-3-12(16)4-6-14/h3-6,13,17H,2,7-11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 63301188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).