N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C17H26Cl3N3O2 — CID 119873218

IUPACN-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)CC2CCCN2)C1.Cl.Cl
InChIInChI=1S/C17H24ClN3O2.2ClH/c1-23-16-5-4-12(18)9-15(16)21-8-6-14(11-21)20-17(22)10-13-3-2-7-19-13;;/h4-5,9,13-14,19H,2-3,6-8,10-11H2,1H3,(H,20,22);2*1H
InChIKeyQEUKRJOQAJIQHO-UHFFFAOYSA-N
MW410.77 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119873218) has the molecular formula C17H26Cl3N3O2 and a molecular weight of 410.77 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119873218
Molecular FormulaC17H26Cl3N3O2
Molecular Weight410.77 g/mol
Exact Mass409.11
IUPAC NameN-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)CC2CCCN2)C1.Cl.Cl
InChIInChI=1S/C17H24ClN3O2.2ClH/c1-23-16-5-4-12(18)9-15(16)21-8-6-14(11-21)20-17(22)10-13-3-2-7-19-13;;/h4-5,9,13-14,19H,2-3,6-8,10-11H2,1H3,(H,20,22);2*1H
InChIKeyQEUKRJOQAJIQHO-UHFFFAOYSA-N
XLogP3.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873204
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873198
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 119873215
(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635297
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645966
4-[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133774
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyanomethylsulfanyl)acetamide
CID 124605853
3-[[N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-cyclopentylpropanamide
CID 111916961
trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 125147471

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119873218) is N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is COc1ccc(Cl)cc1N1CCC(NC(=O)CC2CCCN2)C1.Cl.Cl.
What is the InChIKey of N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is QEUKRJOQAJIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.2ClH/c1-23-16-5-4-12(18)9-15(16)21-8-6-14(11-21)20-17(22)10-13-3-2-7-19-13;;/h4-5,9,13-14,19H,2-3,6-8,10-11H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 410.77 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119873218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).