N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C19H22BrN3O — CID 5007859

IUPACN-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22BrN3O/c1-15-13-16(20)7-8-18(15)21-19(24)14-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyWRCFKAYITWJXHT-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.52
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 5007859) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID5007859
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22BrN3O/c1-15-13-16(20)7-8-18(15)21-19(24)14-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyWRCFKAYITWJXHT-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086253
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(4-bromo-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3287223
N-(4-bromo-2-methylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide
CID 46802308
N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
CID 110688631
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 5007859) is N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide is Cc1cc(Br)ccc1NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is WRCFKAYITWJXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-15-13-16(20)7-8-18(15)21-19(24)14-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 388.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5007859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).