N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide

C12H14BrCl2N3O — CID 107790162

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C12H14BrCl2N3O/c13-8-1-2-9(12(15)11(8)14)17-10(19)7-18-5-3-16-4-6-18/h1-2,16H,3-7H2,(H,17,19)
InChIKeyFQOSKGJJFGYNHZ-UHFFFAOYSA-N
MW367.07 g/mol
LogP2.60
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide

N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide (PubChem CID 107790162) has the molecular formula C12H14BrCl2N3O and a molecular weight of 367.07 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
PubChem CID107790162
Molecular FormulaC12H14BrCl2N3O
Molecular Weight367.07 g/mol
Exact Mass364.97
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C12H14BrCl2N3O/c13-8-1-2-9(12(15)11(8)14)17-10(19)7-18-5-3-16-4-6-18/h1-2,16H,3-7H2,(H,17,19)
InChIKeyFQOSKGJJFGYNHZ-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.07
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-(2-bromo-5-methylphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82756955
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171663
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107808016
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
N-(2-chloro-5-methylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60710101

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide (CID 107790162) is N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide?
The InChIKey is FQOSKGJJFGYNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2N3O/c13-8-1-2-9(12(15)11(8)14)17-10(19)7-18-5-3-16-4-6-18/h1-2,16H,3-7H2,(H,17,19).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide?
N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide has a molecular weight of 367.07 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 107790162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).