2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone

C18H18Cl3N3O3 — CID 55887532

IUPAC2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCn1c(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(Cl)c1Cl
InChIInChI=1S/C18H18Cl3N3O3/c1-22-15(10-14(20)17(22)21)18(26)24-8-6-23(7-9-24)16(25)11-27-13-4-2-12(19)3-5-13/h2-5,10H,6-9,11H2,1H3
InChIKeyROAJIMUJAMPBRW-UHFFFAOYSA-N
MW430.72 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55887532) has the molecular formula C18H18Cl3N3O3 and a molecular weight of 430.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID55887532
Molecular FormulaC18H18Cl3N3O3
Molecular Weight430.72 g/mol
Exact Mass429.04
IUPAC Name2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCn1c(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(Cl)c1Cl
InChIInChI=1S/C18H18Cl3N3O3/c1-22-15(10-14(20)17(22)21)18(26)24-8-6-23(7-9-24)16(25)11-27-13-4-2-12(19)3-5-13/h2-5,10H,6-9,11H2,1H3
InChIKeyROAJIMUJAMPBRW-UHFFFAOYSA-N
XLogP3.35
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
2-(4-chlorophenoxy)-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]ethanone
CID 108534860
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 108535354
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 1074737
2-(4-chlorophenoxy)-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]ethanone
CID 55863602
2-(4-chlorophenoxy)-1-[4-[2-(3,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546619
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108534117
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536086
1-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 108535820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone (CID 55887532) is 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone is Cn1c(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(Cl)c1Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ROAJIMUJAMPBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3O3/c1-22-15(10-14(20)17(22)21)18(26)24-8-6-23(7-9-24)16(25)11-27-13-4-2-12(19)3-5-13/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 430.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55887532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).