2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide

C20H19Cl3N2O3 — CID 108561475

IUPAC2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H19Cl3N2O3/c21-13-1-4-16(5-2-13)28-12-19(26)24-15-7-9-25(10-8-15)20(27)17-6-3-14(22)11-18(17)23/h1-6,11,15H,7-10,12H2,(H,24,26)
InChIKeyFAEFZNHGQKEKDV-UHFFFAOYSA-N
MW441.74 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108561475) has the molecular formula C20H19Cl3N2O3 and a molecular weight of 441.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108561475
Molecular FormulaC20H19Cl3N2O3
Molecular Weight441.74 g/mol
Exact Mass440.05
IUPAC Name2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H19Cl3N2O3/c21-13-1-4-16(5-2-13)28-12-19(26)24-15-7-9-25(10-8-15)20(27)17-6-3-14(22)11-18(17)23/h1-6,11,15H,7-10,12H2,(H,24,26)
InChIKeyFAEFZNHGQKEKDV-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

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108558978
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
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
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide (CID 108561475) is 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is FAEFZNHGQKEKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O3/c21-13-1-4-16(5-2-13)28-12-19(26)24-15-7-9-25(10-8-15)20(27)17-6-3-14(22)11-18(17)23/h1-6,11,15H,7-10,12H2,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide 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 2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108561475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).