3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide

C23H22ClN3O2 — CID 70789955

IUPAC3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide
SMILESN[11C](=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1/i23-1
InChIKeyLOOCZNLSXJHWTG-GCSHDQMLSA-N
MW406.90 g/mol
LogP4.96
Rot. Bonds6

About 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide

3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide (PubChem CID 70789955) has the molecular formula C23H22ClN3O2 and a molecular weight of 406.90 g/mol. Its IUPAC name is 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide.

Molecular Properties

Compound Name3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide
PubChem CID70789955
Molecular FormulaC23H22ClN3O2
Molecular Weight406.90 g/mol
Exact Mass406.15
IUPAC Name3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide
SMILESN[11C](=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1/i23-1
InChIKeyLOOCZNLSXJHWTG-GCSHDQMLSA-N
XLogP4.96
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide 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

3-Chloro-4-(4-((2-(pyridin-3-yl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
CID 56851582
LY-2795050
CID 56851583
3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
CID 834663
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
4-[(2-chlorophenoxy)methyl]-N-(3-pyridinylmethyl)benzamide
CID 2192193
4-[(2-chlorophenoxy)methyl]-N-(pyridin-4-yl)benzamide
CID 890653
(6-(2-Chlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24770911
(6-(2-Chlorophenoxy)pyridin-3-yl)(4-cyclopentylpiperazin-1-yl)methanone
CID 24770912
6-[4-[(2-Phenyl-1-pyrrolidinyl)methyl]phenoxy]-3-pyridinecarboxamide
CID 56851423
3-chloro-4-(2-cyano-3-pyridin-4-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679630
6-[4-[2-(Benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide
CID 59729911
6-[2-Chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide?
The IUPAC name of 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide (CID 70789955) is 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide.
What is the SMILES notation for 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide?
The canonical SMILES for 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide is N[11C](=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide?
The InChIKey is LOOCZNLSXJHWTG-GCSHDQMLSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1/i23-1.
What are the key properties of 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide?
3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide has a molecular weight of 406.90 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](11C)benzamide is sourced from PubChem (CID 70789955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).