(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride

C16H21Cl3N2O2 — CID 119341932

IUPAC(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Oc3ccc(Cl)c(Cl)c3)C2)CCCC1
InChIInChI=1S/C16H20Cl2N2O2.ClH/c17-13-4-3-11(9-14(13)18)22-12-5-8-20(10-12)15(21)16(19)6-1-2-7-16;/h3-4,9,12H,1-2,5-8,10,19H2;1H
InChIKeyLLNAZTPDJZXHTF-UHFFFAOYSA-N
MW379.72 g/mol
LogP3.67
Rot. Bonds3

About (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride

(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119341932) has the molecular formula C16H21Cl3N2O2 and a molecular weight of 379.72 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119341932
Molecular FormulaC16H21Cl3N2O2
Molecular Weight379.72 g/mol
Exact Mass378.07
IUPAC Name(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Oc3ccc(Cl)c(Cl)c3)C2)CCCC1
InChIInChI=1S/C16H20Cl2N2O2.ClH/c17-13-4-3-11(9-14(13)18)22-12-5-8-20(10-12)15(21)16(19)6-1-2-7-16;/h3-4,9,12H,1-2,5-8,10,19H2;1H
InChIKeyLLNAZTPDJZXHTF-UHFFFAOYSA-N
XLogP3.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
2-amino-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796027
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119341914
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815621
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
2-amino-1-[3-(3,4-dichlorophenoxy)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796457
[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124697933

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride (CID 119341932) is (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCC(Oc3ccc(Cl)c(Cl)c3)C2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is LLNAZTPDJZXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2.ClH/c17-13-4-3-11(9-14(13)18)22-12-5-8-20(10-12)15(21)16(19)6-1-2-7-16;/h3-4,9,12H,1-2,5-8,10,19H2;1H.
What are the key properties of (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride?
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 379.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119341932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).