(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C19H20BrClN2O2 — CID 55826065

IUPAC(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H20BrClN2O2/c20-15-6-7-17(18(21)14-15)19(24)23-10-8-22(9-11-23)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyJSSDAVPHBKBNMR-UHFFFAOYSA-N
MW423.74 g/mol
LogP3.94
Rot. Bonds5

About (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 55826065) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID55826065
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H20BrClN2O2/c20-15-6-7-17(18(21)14-15)19(24)23-10-8-22(9-11-23)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyJSSDAVPHBKBNMR-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946209
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
CID 35706233
5-bromo-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzaldehyde
CID 38900645
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 55826065) is (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1Cl)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is JSSDAVPHBKBNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c20-15-6-7-17(18(21)14-15)19(24)23-10-8-22(9-11-23)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2.
What are the key properties of (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 423.74 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55826065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).