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

C24H30Cl2N2O3 — CID 11213445

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H30Cl2N2O3/c1-30-22-9-7-19(24(29)27-11-5-14-28-12-3-2-4-13-28)16-23(22)31-15-10-18-6-8-20(25)17-21(18)26/h6-9,16-17H,2-5,10-15H2,1H3,(H,27,29)
InChIKeyFDWXFMBRFUBYTF-UHFFFAOYSA-N
MW465.42 g/mol
LogP5.23
Rot. Bonds10

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

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 11213445) has the molecular formula C24H30Cl2N2O3 and a molecular weight of 465.42 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID11213445
Molecular FormulaC24H30Cl2N2O3
Molecular Weight465.42 g/mol
Exact Mass464.16
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H30Cl2N2O3/c1-30-22-9-7-19(24(29)27-11-5-14-28-12-3-2-4-13-28)16-23(22)31-15-10-18-6-8-20(25)17-21(18)26/h6-9,16-17H,2-5,10-15H2,1H3,(H,27,29)
InChIKeyFDWXFMBRFUBYTF-UHFFFAOYSA-N
XLogP5.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
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
N-[1-[2-[2-(diaminomethylidene)hydrazinyl]-2-oxoethyl]piperidin-4-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 23396244
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide
CID 22052444
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
CID 7964266
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 30540651
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide (CID 11213445) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide is COc1ccc(C(=O)NCCCN2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is FDWXFMBRFUBYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3/c1-30-22-9-7-19(24(29)27-11-5-14-28-12-3-2-4-13-28)16-23(22)31-15-10-18-6-8-20(25)17-21(18)26/h6-9,16-17H,2-5,10-15H2,1H3,(H,27,29).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 465.42 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 11213445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).