N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide

C12H15BrClN3O — CID 62908578

IUPACN-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClN3O/c13-9-1-2-10(14)11(7-9)16-12(18)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2,(H,16,18)
InChIKeyRCHBMNJSFFRQIB-UHFFFAOYSA-N
MW332.63 g/mol
LogP1.95
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide

N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide (PubChem CID 62908578) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
PubChem CID62908578
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClN3O/c13-9-1-2-10(14)11(7-9)16-12(18)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2,(H,16,18)
InChIKeyRCHBMNJSFFRQIB-UHFFFAOYSA-N
XLogP1.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
CID 107790162
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460584
2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36894666

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide (CID 62908578) is N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide?
The InChIKey is RCHBMNJSFFRQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c13-9-1-2-10(14)11(7-9)16-12(18)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2,(H,16,18).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide?
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide has a molecular weight of 332.63 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 62908578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).