2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H24BrN3O — CID 38172833

IUPAC2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C20H24BrN3O/c1-15-13-18(7-8-19(15)24-11-9-23(2)10-12-24)22-20(25)14-16-3-5-17(21)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyPBPILCUIXLHOGY-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 38172833) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID38172833
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC Name2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C20H24BrN3O/c1-15-13-18(7-8-19(15)24-11-9-23(2)10-12-24)22-20(25)14-16-3-5-17(21)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyPBPILCUIXLHOGY-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 39727631
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 22414591
2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 39726745
2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 33236991
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134016428
2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273423

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 38172833) is 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1N1CCN(C)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is PBPILCUIXLHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O/c1-15-13-18(7-8-19(15)24-11-9-23(2)10-12-24)22-20(25)14-16-3-5-17(21)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 402.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 38172833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).