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

C16H20Cl2N2O2 — CID 119815606

IUPAC(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCC(Oc3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C16H20Cl2N2O2/c17-14-4-3-12(8-15(14)18)22-13-5-6-20(9-13)16(21)10-1-2-11(19)7-10/h3-4,8,10-11,13H,1-2,5-7,9,19H2
InChIKeyUILKBIIYFXWANY-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.10
Rot. Bonds3

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

(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone (PubChem CID 119815606) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
PubChem CID119815606
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCC(Oc3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C16H20Cl2N2O2/c17-14-4-3-12(8-15(14)18)22-13-5-6-20(9-13)16(21)10-1-2-11(19)7-10/h3-4,8,10-11,13H,1-2,5-7,9,19H2
InChIKeyUILKBIIYFXWANY-UHFFFAOYSA-N
XLogP3.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119341914
[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124697933
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125135306
2-amino-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796027
cyclopent-3-en-1-yl-[4-(3,4-dichlorophenoxy)piperidin-1-yl]methanone;1-(3,4-dichlorophenoxy)piperidine
CID 159621893
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815621

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone (CID 119815606) is (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone is NC1CCC(C(=O)N2CCC(Oc3ccc(Cl)c(Cl)c3)C2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone?
The InChIKey is UILKBIIYFXWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-14-4-3-12(8-15(14)18)22-13-5-6-20(9-13)16(21)10-1-2-11(19)7-10/h3-4,8,10-11,13H,1-2,5-7,9,19H2.
What are the key properties of (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone?
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone has a molecular weight of 343.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119815606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).