[3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone

C20H21ClN2O3 — CID 166309745

IUPAC[3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(O)C2)cc1)N1CC(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(26)12-23(13-20)19(25)14-1-7-17(8-2-14)22-10-9-18(24)11-22/h1-8,18,24,26H,9-13H2
InChIKeyAWNWNHBPHPKGFM-UHFFFAOYSA-N
MW372.85 g/mol
LogP2.25
Rot. Bonds3

About [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone

[3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone (PubChem CID 166309745) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone
PubChem CID166309745
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name[3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(O)C2)cc1)N1CC(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(26)12-23(13-20)19(25)14-1-7-17(8-2-14)22-10-9-18(24)11-22/h1-8,18,24,26H,9-13H2
InChIKeyAWNWNHBPHPKGFM-UHFFFAOYSA-N
XLogP2.25
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone (CID 166309745) is [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone is O=C(c1ccc(N2CCC(O)C2)cc1)N1CC(O)(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone?
The InChIKey is AWNWNHBPHPKGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(26)12-23(13-20)19(25)14-1-7-17(8-2-14)22-10-9-18(24)11-22/h1-8,18,24,26H,9-13H2.
What are the key properties of [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone?
[3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone has a molecular weight of 372.85 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-3-hydroxyazetidin-1-yl]-[4-(3-hydroxypyrrolidin-1-yl)phenyl]methanone is sourced from PubChem (CID 166309745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).