3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide

C20H19Cl3N2O3 — CID 108549019

IUPAC3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl3N2O3/c21-14-2-4-16(5-3-14)28-12-19(26)25-9-7-15(8-10-25)24-20(27)13-1-6-17(22)18(23)11-13/h1-6,11,15H,7-10,12H2,(H,24,27)
InChIKeyDLWLBTBJPZEQQE-UHFFFAOYSA-N
MW441.74 g/mol
LogP4.45
Rot. Bonds5

About 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide

3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108549019) has the molecular formula C20H19Cl3N2O3 and a molecular weight of 441.74 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108549019
Molecular FormulaC20H19Cl3N2O3
Molecular Weight441.74 g/mol
Exact Mass440.05
IUPAC Name3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl3N2O3/c21-14-2-4-16(5-3-14)28-12-19(26)25-9-7-15(8-10-25)24-20(27)13-1-6-17(22)18(23)11-13/h1-6,11,15H,7-10,12H2,(H,24,27)
InChIKeyDLWLBTBJPZEQQE-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.74
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]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

2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide (CID 108549019) is 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is DLWLBTBJPZEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O3/c21-14-2-4-16(5-3-14)28-12-19(26)25-9-7-15(8-10-25)24-20(27)13-1-6-17(22)18(23)11-13/h1-6,11,15H,7-10,12H2,(H,24,27).
What are the key properties of 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide?
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 441.74 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108549019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).