2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide

C16H23ClN2O2 — CID 119529826

IUPAC2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cc1cc(Cl)ccc1OC)C1CCNC1
InChIInChI=1S/C16H23ClN2O2/c1-3-8-19(14-6-7-18-11-14)16(20)10-12-9-13(17)4-5-15(12)21-2/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3
InChIKeyXYQLISIBSPYJQL-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.49
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119529826) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID119529826
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cc1cc(Cl)ccc1OC)C1CCNC1
InChIInChI=1S/C16H23ClN2O2/c1-3-8-19(14-6-7-18-11-14)16(20)10-12-9-13(17)4-5-15(12)21-2/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3
InChIKeyXYQLISIBSPYJQL-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119533142
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
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
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 119529826) is 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)Cc1cc(Cl)ccc1OC)C1CCNC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is XYQLISIBSPYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-8-19(14-6-7-18-11-14)16(20)10-12-9-13(17)4-5-15(12)21-2/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119529826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).