2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C17H26Cl2N2O2 — CID 119532550

IUPAC2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Oc1cc(C)ccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-4-9-20(14-7-8-19-11-14)17(21)13(3)22-16-10-12(2)5-6-15(16)18;/h5-6,10,13-14,19H,4,7-9,11H2,1-3H3;1H
InChIKeyUQEVXBWAKCKJGD-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.44
Rot. Bonds6

About 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119532550) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119532550
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Oc1cc(C)ccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-4-9-20(14-7-8-19-11-14)17(21)13(3)22-16-10-12(2)5-6-15(16)18;/h5-6,10,13-14,19H,4,7-9,11H2,1-3H3;1H
InChIKeyUQEVXBWAKCKJGD-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825707
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119532550) is 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)C(C)Oc1cc(C)ccc1Cl)C1CCNC1.Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is UQEVXBWAKCKJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c1-4-9-20(14-7-8-19-11-14)17(21)13(3)22-16-10-12(2)5-6-15(16)18;/h5-6,10,13-14,19H,4,7-9,11H2,1-3H3;1H.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119532550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).