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

C21H22Cl2N2O4 — CID 108554336

IUPAC2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22Cl2N2O4/c22-15-1-5-18(6-2-15)28-13-20(26)24-17-9-11-25(12-10-17)21(27)14-29-19-7-3-16(23)4-8-19/h1-8,17H,9-14H2,(H,24,26)
InChIKeyNZFYVDSLZDHEAB-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.56
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108554336) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108554336
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22Cl2N2O4/c22-15-1-5-18(6-2-15)28-13-20(26)24-17-9-11-25(12-10-17)21(27)14-29-19-7-3-16(23)4-8-19/h1-8,17H,9-14H2,(H,24,26)
InChIKeyNZFYVDSLZDHEAB-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
Plafibride
CID 68822
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
2-(4-Chloro-phenoxy)-1-(4-cyclopentyl-piperazin-1-yl)-ethanone
CID 17369419
trans-2-(4-chlorophenoxy)-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]acetamide, hydrochloride
CID 45262950
(S)-2-((4-(4-chlorophenoxy)phenoxy)methyl)piperidine
CID 46888148

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide (CID 108554336) is 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is NZFYVDSLZDHEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c22-15-1-5-18(6-2-15)28-13-20(26)24-17-9-11-25(12-10-17)21(27)14-29-19-7-3-16(23)4-8-19/h1-8,17H,9-14H2,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 437.32 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108554336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).