2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone

C19H20BrClN2O2 — CID 1028428

IUPAC2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrClN2O2/c1-14-2-5-16(21)12-18(14)22-8-10-23(11-9-22)19(24)13-25-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3
InChIKeySHCOMJWTFFYVJM-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone

2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 1028428) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
PubChem CID1028428
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrClN2O2/c1-14-2-5-16(21)12-18(14)22-8-10-23(11-9-22)19(24)13-25-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3
InChIKeySHCOMJWTFFYVJM-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone (CID 1028428) is 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone is Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is SHCOMJWTFFYVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-14-2-5-16(21)12-18(14)22-8-10-23(11-9-22)19(24)13-25-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone?
2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 423.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).