3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide

C28H35Cl2N3O4 — CID 22052444

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NC(CC(=O)N2CCCC2)C2CCNCC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H35Cl2N3O4/c1-36-25-7-5-21(16-26(25)37-15-10-19-4-6-22(29)17-23(19)30)28(35)32-24(20-8-11-31-12-9-20)18-27(34)33-13-2-3-14-33/h4-7,16-17,20,24,31H,2-3,8-15,18H2,1H3,(H,32,35)
InChIKeyJGHNFYOVFRPMNA-UHFFFAOYSA-N
MW548.51 g/mol
LogP4.73
Rot. Bonds10

About 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 22052444) has the molecular formula C28H35Cl2N3O4 and a molecular weight of 548.51 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID22052444
Molecular FormulaC28H35Cl2N3O4
Molecular Weight548.51 g/mol
Exact Mass547.20
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NC(CC(=O)N2CCCC2)C2CCNCC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H35Cl2N3O4/c1-36-25-7-5-21(16-26(25)37-15-10-19-4-6-22(29)17-23(19)30)28(35)32-24(20-8-11-31-12-9-20)18-27(34)33-13-2-3-14-33/h4-7,16-17,20,24,31H,2-3,8-15,18H2,1H3,(H,32,35)
InChIKeyJGHNFYOVFRPMNA-UHFFFAOYSA-N
XLogP4.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)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

4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid
CID 22052375
[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 23396229
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide
CID 11213445
N-[1-[2-[2-(diaminomethylidene)hydrazinyl]-2-oxoethyl]piperidin-4-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 23396244
4-fluoro-3-methoxy-N-(1-piperidin-4-ylethyl)benzamide
CID 81283731
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
CID 22052399
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935300
N-[2-(2,4-dichlorophenyl)ethyl]-3-methoxy-4-[[1-[(3S)-3-methylpiperazin-1-yl]-2-piperidin-2-ylethenyl]amino]benzamide
CID 154147921
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-methoxybenzamide
CID 95690732
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide (CID 22052444) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide is COc1ccc(C(=O)NC(CC(=O)N2CCCC2)C2CCNCC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is JGHNFYOVFRPMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N3O4/c1-36-25-7-5-21(16-26(25)37-15-10-19-4-6-22(29)17-23(19)30)28(35)32-24(20-8-11-31-12-9-20)18-27(34)33-13-2-3-14-33/h4-7,16-17,20,24,31H,2-3,8-15,18H2,1H3,(H,32,35).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 548.51 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 22052444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).