2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone

C14H18BrClN2O — CID 166638870

IUPAC2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-2-17-5-7-18(8-6-17)14(19)10-11-9-12(15)3-4-13(11)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyDVXGIOHIILUZRW-UHFFFAOYSA-N
MW345.67 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 166638870) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID166638870
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-2-17-5-7-18(8-6-17)14(19)10-11-9-12(15)3-4-13(11)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyDVXGIOHIILUZRW-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone
CID 166358982
2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110769554
1-[4-[(5-bromo-2-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56789122
1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
2-(4-bromophenyl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 39075000
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 166638870) is 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is DVXGIOHIILUZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-17-5-7-18(8-6-17)14(19)10-11-9-12(15)3-4-13(11)16/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 345.67 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 166638870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).