2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C19H22BrN3O2 — CID 1263245

IUPAC2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-22-10-12-23(13-11-22)18-5-3-2-4-17(18)21-19(24)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyOLFSDQOYUNNTPH-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 1263245) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID1263245
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-22-10-12-23(13-11-22)18-5-3-2-4-17(18)21-19(24)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyOLFSDQOYUNNTPH-UHFFFAOYSA-N
XLogP3.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189900
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3440507

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 1263245) is 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OLFSDQOYUNNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-22-10-12-23(13-11-22)18-5-3-2-4-17(18)21-19(24)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 404.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1263245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).