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

C23H20ClN3O3 — CID 156814618

IUPAC5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(C(=O)c2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C23H20ClN3O3/c24-19-7-4-11-26-23(19)30-17-10-12-27(14-17)20-9-8-16(13-18(20)22(25)29)21(28)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H2,25,29)/t17-/m0/s1
InChIKeyUTWFXWRQIRACDF-KRWDZBQOSA-N
MW421.88 g/mol
LogP3.72
Rot. Bonds6

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

5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156814618) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
PubChem CID156814618
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(C(=O)c2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C23H20ClN3O3/c24-19-7-4-11-26-23(19)30-17-10-12-27(14-17)20-9-8-16(13-18(20)22(25)29)21(28)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H2,25,29)/t17-/m0/s1
InChIKeyUTWFXWRQIRACDF-KRWDZBQOSA-N
XLogP3.72
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide (CID 156814618) is 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(C(=O)c2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.
What is the InChIKey of 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is UTWFXWRQIRACDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c24-19-7-4-11-26-23(19)30-17-10-12-27(14-17)20-9-8-16(13-18(20)22(25)29)21(28)15-5-2-1-3-6-15/h1-9,11,13,17H,10,12,14H2,(H2,25,29)/t17-/m0/s1.
What are the key properties of 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 421.88 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156814618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).