2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone

C19H18ClIN2O3 — CID 55916292

IUPAC2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C19H18ClIN2O3/c20-15-6-2-4-8-17(15)26-13-18(24)22-9-11-23(12-10-22)19(25)14-5-1-3-7-16(14)21/h1-8H,9-13H2
InChIKeyCKKGLNZVTUOKAH-UHFFFAOYSA-N
MW484.72 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone

2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone (PubChem CID 55916292) has the molecular formula C19H18ClIN2O3 and a molecular weight of 484.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
PubChem CID55916292
Molecular FormulaC19H18ClIN2O3
Molecular Weight484.72 g/mol
Exact Mass484.01
IUPAC Name2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C19H18ClIN2O3/c20-15-6-2-4-8-17(15)26-13-18(24)22-9-11-23(12-10-22)19(25)14-5-1-3-7-16(14)21/h1-8H,9-13H2
InChIKeyCKKGLNZVTUOKAH-UHFFFAOYSA-N
XLogP3.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.72
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39712313
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366185
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
1-[4-(2-iodobenzoyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55916804
2-(2,4-dichlorophenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108536091
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2050578
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone (CID 55916292) is 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is CKKGLNZVTUOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClIN2O3/c20-15-6-2-4-8-17(15)26-13-18(24)22-9-11-23(12-10-22)19(25)14-5-1-3-7-16(14)21/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 484.72 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55916292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).