5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide

Name: 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₂ClN₃O₂ — CID 156814426

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide

SMILESNC(=O)c1cc(Cc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1

InChIInChI=1S/C23H22ClN3O2/c24-20-7-4-11-26-23(20)29-18-10-12-27(15-18)21-9-8-17(14-19(21)22(25)28)13-16-5-2-1-3-6-16/h1-9,11,14,18H,10,12-13,15H2,(H2,25,28)/t18-/m0/s1

InChIKeySKSWQNJJBFNJST-SFHVURJKSA-N

MW407.90 g/mol

LogP4.08

Rot. Bonds6

About 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide

5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156814426) has the molecular formula C₂₃H₂₂ClN₃O₂ and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name	5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
PubChem CID	156814426
Molecular Formula	C₂₃H₂₂ClN₃O₂
Molecular Weight	407.90 g/mol
Exact Mass	407.14
IUPAC Name	5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
SMILES	NC(=O)c1cc(Cc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChI	InChI=1S/C23H22ClN3O2/c24-20-7-4-11-26-23(20)29-18-10-12-27(15-18)21-9-8-17(14-19(21)22(25)28)13-16-5-2-1-3-6-16/h1-9,11,14,18H,10,12-13,15H2,(H2,25,28)/t18-/m0/s1
InChIKey	SKSWQNJJBFNJST-SFHVURJKSA-N
XLogP	4.08
TPSA	68.45 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.90
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?

The IUPAC name of 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide (CID 156814426) is 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide.

What is the SMILES notation for 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?

The canonical SMILES for 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(Cc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.

What is the InChIKey of 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?

The InChIKey is SKSWQNJJBFNJST-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-20-7-4-11-26-23(20)29-18-10-12-27(15-18)21-9-8-17(14-19(21)22(25)28)13-16-5-2-1-3-6-16/h1-9,11,14,18H,10,12-13,15H2,(H2,25,28)/t18-/m0/s1.

What are the key properties of 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?

5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 407.90 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156814426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 156814426 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.