2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide

C21H23Cl3N2O2 — CID 22322419

IUPAC2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H23Cl3N2O2/c22-16-3-1-2-15(12-16)13-21(27)25-8-11-26-9-6-17(7-10-26)28-18-4-5-19(23)20(24)14-18/h1-5,12,14,17H,6-11,13H2,(H,25,27)
InChIKeyOOTHRFGFXAHFJT-UHFFFAOYSA-N
MW441.79 g/mol
LogP4.85
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide

2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide (PubChem CID 22322419) has the molecular formula C21H23Cl3N2O2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
PubChem CID22322419
Molecular FormulaC21H23Cl3N2O2
Molecular Weight441.79 g/mol
Exact Mass440.08
IUPAC Name2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H23Cl3N2O2/c22-16-3-1-2-15(12-16)13-21(27)25-8-11-26-9-6-17(7-10-26)28-18-4-5-19(23)20(24)14-18/h1-5,12,14,17H,6-11,13H2,(H,25,27)
InChIKeyOOTHRFGFXAHFJT-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide 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-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
CID 10118194
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide (CID 22322419) is 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide is O=C(Cc1cccc(Cl)c1)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
The InChIKey is OOTHRFGFXAHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N2O2/c22-16-3-1-2-15(12-16)13-21(27)25-8-11-26-9-6-17(7-10-26)28-18-4-5-19(23)20(24)14-18/h1-5,12,14,17H,6-11,13H2,(H,25,27).
What are the key properties of 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide?
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide has a molecular weight of 441.79 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 22322419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).