2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone

C17H16Cl3N3O2 — CID 78882209

IUPAC2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1
InChIInChI=1S/C17H16Cl3N3O2/c18-12-3-1-11(2-4-12)9-15(24)22-5-7-23(8-6-22)17(25)14-10-13(19)16(20)21-14/h1-4,10,21H,5-9H2
InChIKeyHCURTOYHVUFMIA-UHFFFAOYSA-N
MW400.69 g/mol
LogP3.50
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 78882209) has the molecular formula C17H16Cl3N3O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID78882209
Molecular FormulaC17H16Cl3N3O2
Molecular Weight400.69 g/mol
Exact Mass399.03
IUPAC Name2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1
InChIInChI=1S/C17H16Cl3N3O2/c18-12-3-1-11(2-4-12)9-15(24)22-5-7-23(8-6-22)17(25)14-10-13(19)16(20)21-14/h1-4,10,21H,5-9H2
InChIKeyHCURTOYHVUFMIA-UHFFFAOYSA-N
XLogP3.50
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 50799767
2-(4-chlorophenyl)-1-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethanone
CID 86996657
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78833649
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
2-(4-chlorophenyl)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 119287935
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
2-(4-chlorophenyl)-1-[4-(5-methylsulfonylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 86944350
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone (CID 78882209) is 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is HCURTOYHVUFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O2/c18-12-3-1-11(2-4-12)9-15(24)22-5-7-23(8-6-22)17(25)14-10-13(19)16(20)21-14/h1-4,10,21H,5-9H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 400.69 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78882209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).