N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

C21H26BrN3O — CID 9266537

IUPACN-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)c1
InChIInChI=1S/C21H26BrN3O/c1-16-4-3-5-18(12-16)14-24-8-10-25(11-9-24)15-21(26)23-20-7-6-17(2)13-19(20)22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyJDGZKQLWDYYOPG-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.82
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9266537) has the molecular formula C21H26BrN3O and a molecular weight of 416.36 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9266537
Molecular FormulaC21H26BrN3O
Molecular Weight416.36 g/mol
Exact Mass415.13
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)c1
InChIInChI=1S/C21H26BrN3O/c1-16-4-3-5-18(12-16)14-24-8-10-25(11-9-24)15-21(26)23-20-7-6-17(2)13-19(20)22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyJDGZKQLWDYYOPG-UHFFFAOYSA-N
XLogP3.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510
N-(2-chloro-4-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266452
N-(5-chloro-2-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266419
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266460
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
N-[(2-fluorophenyl)carbamoyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266367
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27185823

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 9266537) is N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JDGZKQLWDYYOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O/c1-16-4-3-5-18(12-16)14-24-8-10-25(11-9-24)15-21(26)23-20-7-6-17(2)13-19(20)22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 416.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9266537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).