3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide

C24H29Cl2N3O2 — CID 11236581

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide
SMILES[H]/N=C(\C)N1CCC(CNC(=O)c2ccc(C)c(OCCc3ccc(Cl)cc3Cl)c2)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-16-3-4-20(24(30)28-15-18-7-10-29(11-8-18)17(2)27)13-23(16)31-12-9-19-5-6-21(25)14-22(19)26/h3-6,13-14,18,27H,7-12,15H2,1-2H3,(H,28,30)/b27-17+
InChIKeyGJLYGIJZQHYVIB-WPWMEQJKSA-N
MW462.42 g/mol
LogP5.36
Rot. Bonds7

About 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide (PubChem CID 11236581) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide
PubChem CID11236581
Molecular FormulaC24H29Cl2N3O2
Molecular Weight462.42 g/mol
Exact Mass461.16
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide
SMILES[H]/N=C(\C)N1CCC(CNC(=O)c2ccc(C)c(OCCc3ccc(Cl)cc3Cl)c2)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-16-3-4-20(24(30)28-15-18-7-10-29(11-8-18)17(2)27)13-23(16)31-12-9-19-5-6-21(25)14-22(19)26/h3-6,13-14,18,27H,7-12,15H2,1-2H3,(H,28,30)/b27-17+
InChIKeyGJLYGIJZQHYVIB-WPWMEQJKSA-N
XLogP5.36
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide 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

N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 10162765
N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide
CID 11351714
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(propan-2-yl)piperidin-4-yl]methyl}benzamide
CID 11465752
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[3-(piperidin-1-yl)propyl]benzamide
CID 11213445
3-Oxybenzamide 74
CID 15976119
N-(2-chlorobenzyl)-3-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzamide
CID 24818865
3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 42949112
2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 137649763
{Amino-[4-({3-[2-(2,4-dichloro-phenyl)-ethoxy]-4-methyl-benzoylamino}-methyl)-piperidin-1-yl]-methylene}-carbamic Acid Benzyl Ester
CID 49823095
5-chloro-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide
CID 139033549
2-({1-[2-(4-Chlorophenyl)acetyl]piperidin-4-YL}methoxy)-N-(propan-2-YL)benzamide
CID 50846508
2-({1-[2-(2-Chlorophenyl)acetyl]piperidin-4-YL}methoxy)-N-(propan-2-YL)benzamide
CID 50846541

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide (CID 11236581) is 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide is [H]/N=C(\C)N1CCC(CNC(=O)c2ccc(C)c(OCCc3ccc(Cl)cc3Cl)c2)CC1.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide?
The InChIKey is GJLYGIJZQHYVIB-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c1-16-3-4-20(24(30)28-15-18-7-10-29(11-8-18)17(2)27)13-23(16)31-12-9-19-5-6-21(25)14-22(19)26/h3-6,13-14,18,27H,7-12,15H2,1-2H3,(H,28,30)/b27-17+.
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide has a molecular weight of 462.42 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 11236581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).