1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one

C11H12BrFN2O — CID 68731705

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one
SMILESCc1cc(F)c(Br)cc1N1CCNCC1=O
InChIInChI=1S/C11H12BrFN2O/c1-7-4-9(13)8(12)5-10(7)15-3-2-14-6-11(15)16/h4-5,14H,2-3,6H2,1H3
InChIKeyNUQWPWIEEYEZFI-UHFFFAOYSA-N
MW287.13 g/mol
LogP1.83
Rot. Bonds1

About 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one

1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one (PubChem CID 68731705) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one
PubChem CID68731705
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one
SMILESCc1cc(F)c(Br)cc1N1CCNCC1=O
InChIInChI=1S/C11H12BrFN2O/c1-7-4-9(13)8(12)5-10(7)15-3-2-14-6-11(15)16/h4-5,14H,2-3,6H2,1H3
InChIKeyNUQWPWIEEYEZFI-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Acetyl-piperazin-1-yl)-N-(5-fluoro-2-methyl-phenyl)-acetamide
CID 1448807
N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2530900
1-(6-bromo-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471883
2-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)acetamide
CID 2091118
N-(4-bromophenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2532109
2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8533654
N-(3-Bromo-4-methyl-phenyl)-2-(4-methyl-piperazin-1-yl)-acetamide
CID 24747139
N-(3-Bromo-4-methyl-phenyl)-2-(4-ethyl-piperazin-1-yl)-acetamide
CID 24761088
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2524168
N-(4-bromo-2-methylphenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2604424
1-Piperidineaceto-2',6'-xylidide, 4'-bromo-
CID 205250
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2609006

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one (CID 68731705) is 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one is Cc1cc(F)c(Br)cc1N1CCNCC1=O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one?
The InChIKey is NUQWPWIEEYEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-7-4-9(13)8(12)5-10(7)15-3-2-14-6-11(15)16/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one?
1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one has a molecular weight of 287.13 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 68731705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).