2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide

C15H21BrClN3O2 — CID 119394421

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C15H21BrClN3O2/c16-12-2-3-14(13(17)10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20/h2-3,10,18H,1,4-9,11H2,(H,19,21)
InChIKeyJJAADNMQZVFDLF-UHFFFAOYSA-N
MW390.71 g/mol
LogP1.89
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119394421) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119394421
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCCCN1CCNCC1
InChIInChI=1S/C15H21BrClN3O2/c16-12-2-3-14(13(17)10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20/h2-3,10,18H,1,4-9,11H2,(H,19,21)
InChIKeyJJAADNMQZVFDLF-UHFFFAOYSA-N
XLogP1.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 43067442
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-[2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241786
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide (CID 119394421) is 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide is O=C(COc1ccc(Br)cc1Cl)NCCCN1CCNCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is JJAADNMQZVFDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O2/c16-12-2-3-14(13(17)10-12)22-11-15(21)19-4-1-7-20-8-5-18-6-9-20/h2-3,10,18H,1,4-9,11H2,(H,19,21).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 390.71 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).